![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302 Umfanekiso obonakalayo](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 263.25 | - |
| Indawo yokunyibilika (yoMfuniselo) | 177.1-178.3 °C | - |
| Indawo yokuBila (Kuqikelelwe) | 666.6±55.0 °C | Cinezela: 760 Torr |
| Ukuxinana (Kuqikelelwe) | 1.50±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 11.20±0.20 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Isomeric Uncumo C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O
InChi
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/ h5,18H,2-4,6H2,1H3/t13-/m0/s1
Isitshixo se-InchI
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Amanye Amagama ale nto
(4S) -4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) -trione (ACI); I-1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (S)- (ZCI); (4S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10 (4H) trione; (4S)-4-Ethyl-4-
i-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione; (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10 (4H)-trione
| Iipropati ezikhoyo |
| I-Optical kunye nokusabalalisa |
| Thermal |
I-Optical kunye nokusabalalisa
| Ipropati | Ixabiso | Imeko | Umthombo |
| Amandla ajikelezayo okukhanya | +120,6 deg | c: 0,62 g/100mL; Isinyibilikisi: I-Chloroform | (1) IC |
| Amandla ajikelezayo okukhanya | +120,57 deg | c: 0,62 g/100mL; Isinyibilikisi: I-Chloroform; Ubushushu: 20 °C | (2) IC |
| Amandla ajikelezayo okukhanya | +119.57 deg | c: 1.0 g/100mL; Isinyibilikisi: I-Chloroform; λ: 589.3 nm; Ubushushu: 25 °C | (3) CAS |
| Amandla ajikelezayo okukhanya | +119.57 degrees·mL/gdm | c: 1.0 g/100mL; Isinyibilikisi: I-Chloroform; λ: umgca weSodium D; Ubushushu: 25 °C | (4) CAS |
| Amandla ajikelezayo okukhanya | +117,6 deg | c: 0.56 g/100mL; Isinyibilikisi: I-Chloroform; Ubushushu: 23 °C | (5) IC |
| Amandla ajikelezayo okukhanya | +116.14 degrees·mL/gdm | c: 1.0 g/100mL; Isinyibilikisi: I-Chloroform; λ: umgca weSodium D; Ubushushu: 26 °C | (4) CAS |
| Amandla ajikelezayo okukhanya | + 96 deg | c: 0.40 g/100mL; Ubushushu: 21 °C | (6) IC |
| Amandla ajikelezayo okukhanya | + 77,8 deg | c: 0,62 g/100mL; Isinyibilikisi: I-Chloroform; λ: 589.3 nm; Ubushushu: 25 °C | (7) CAS |
(1) eTerasawa, eHirofumi; IBulletin yeMichiza kunye neMichiza, (1989), 37(12), 3382-5, CAplus
(2) eTagawa, eHiroaki; EP220601, A1, 1987, CAPlus
(3) uHenegar, uKevin E.; Ijenali ye-Organic Chemistry, (1997), 62(19), 6588-6597, CAplus
(4) Watanabe, Tatsuya; IChemistry - An Asian Journal, (2013), 8(3), 630-638, CAplus
(5) Ejima, Akio; Ijenali yoMbutho weMichiza, iPerkin Transactions 1: I-Organic kunye ne-Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, CAplus
(6) Wani, Mansukh C.; Ijenali yeChemistry yoNyango, (1987), 30(12), 2317-19, CAplus
(7) eKuang, eYun-Yan; Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
Thermal
| Ipropati | Ixabiso | Imeko | Umthombo | |
| Indawo yokunyibilika | 183-185 °C (ukonakala) | (1) I-CAS | ||
| Indawo yokunyibilika | 177.1-178.3 °C | (2) CAS | ||
| Indawo yokunyibilika | 176-177 °C (ukonakala) | (3) IC | ||
| Indawo yokunyibilika | 169-170 °C | Isinyibilikisi: | I-Ethyl acetate | (4) IC |
(1) eKuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
(2) uHenegar, uKevin E.; Ijenali ye-Organic Chemistry, (1997), 62(19), 6588-6597, CAplus
(3) Ejima, Akio; Ijenali yoMbutho weMichiza, iPerkin Transactions 1: I-Organic kunye ne-Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, CAplus
(4) Wani, Mansukh C.; Ijenali yeChemistry yoNyango, (1987), 30(12), 2317-19, CAplus
ISpectra ekhoyo
1H NMR
IMisa
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo olunxulumeneyo |
| Thermal |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 1.0 | pH 1; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 2; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 3; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 4; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 5; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 6; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 7; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 8; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 9; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 7.37 | pH 1; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 7.37 | pH 8; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9; Ubushushu: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 1; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 2; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | -0.94 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | -0.96 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | -0.936±0.842 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 371 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 392 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 371 g/L | Amanzi angaphazanyiswanga pH 5.53; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.41 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo | |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD | |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD | |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD | |
| Ukunyibilika kweMolar | 1.41 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD | |
| Ukunyibilika kweMolar | 1.49 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD | |
| Ukunyibilika kweMolar | 1.41 mol/L | Amanzi angaphazanyiswanga pH 5.53; Ubushushu: 25 °C | (1) ACD | |
| Ubunzima beMolekyuli | 263.25 | |||
| pKa | 11.20±0.20 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD | |
| pKa | -2.24±0.40 | Eyona Tempile iSiseko: 25 °C | (1) ACD | |
| Uxinzelelo lomphunga | 1.29 x 10-20 | Torr | Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukuxinana | 1.50±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 174.8±5.0 cm3/mol | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 2 | (1) ACD | |
| H Abamkeli | 6 | (1) ACD | |
| H Abaxhasi | 1 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 7 | (1) ACD | |
| logP | -0.936±0.842 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 263.25 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo olunxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 83.9 A2 | (1) ACD | |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yokubilisa | 666.6±55.0 °C | Cinezela: 760 Torr | (1) ACD |
| I-Enthalpy yoMphunga | 112.17±6.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
| Indawo yokuflasha | 357.0±31.5 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
| Ikhowudi | Ingxelo yobungozi | Umthombo |
| H319 | Ibangela ukucaphuka kwamehlo okunzulu | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo oluchaziweyo kunye nokuleyibheli-izaziso eziqhelekileyo, i-Arhente yeMichiza yaseYurophu (ECHA) uHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwazisiweyo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
| H302 | Kuyingozi ukuba iginyiwe | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo oluchaziweyo kunye nokuleyibheli-izaziso eziqhelekileyo, i-Arhente yeMichiza yaseYurophu (ECHA) uHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwazisiweyo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
Ulwazi lweShishini oluyiMfihlo: lukaRhulumente
| Izithethantonye ezilawulayo | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H)-trione | - | IsiFrentshi |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | IsiFrentshi |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | IsiDanish, isiJamani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | IsiDatshi |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | IsiDanish, isiJamani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | IsiDatshi |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione | - | - |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano(3,4-f)indolizina-3,6,10(4H)-triona | - | IsiPhuthukezi, iSpanish |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | IsiPhuthukezi, iSpanish |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | IsiTaliyani |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | IsiTaliyani |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Swedish |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Swedish |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f) indolitsiini-3,6,10(4H)-trioni | - | Finnish |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Finnish |
Iinkcukacha ngokweLizwe/Amazwe ngamazwe kunye nolunye uluhlu
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