C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 371.35 | - |
| Indawo yokunyibilika (yoMfuniselo) | 152 °C | - |
| Ukuxinana (Kuqikelelwe) | 1.70±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 7.87±0.43 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
Isomeric IYANCOMA O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H](CO)[C@H]1O
InChi
InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-1 4(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1
Isitshixo se-InchI
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Amanye Amagama ale nto
I-Benzamide, i-N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI); I-N-Benzoyladenosine (ACI); N6-Benzoyladenosine
| Iipropati ezikhoyo |
| Thermal |
Thermal
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yokunyibilika | 152 °C | (1) IC | |
(1) eGopalakrishnan, eVidhya; Iinkqubo - i-Indian Academy yeSayensi, iSayensi zeMichiza, (1989), 101 (5), 401-13, CAplus
ISpectra ekhoyo
1H NMR
13C NMR
Hetero NMR
IR
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo olunxulumeneyo |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 1.0 | pH 1; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.83 | pH 2; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.56 | pH 3; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.67 | pH 4; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.68 | pH 5; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.65 | pH 6; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 2.37 | pH 7; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.16 | 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 | 12.6 | pH 1; Ubushushu: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2; Ubushushu: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3; Ubushushu: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4; Ubushushu: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5; Ubushushu: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6; Ubushushu: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7; Ubushushu: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8; Ubushushu: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logD | 0.12 | pH 1; Ubushushu: 25 °C | (1) ACD |
| logD | 0.70 | pH 2; Ubushushu: 25 °C | (1) ACD |
| logD | 0.85 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | 0.86 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | 0.87 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | 0.86 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | 0.81 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | 0.50 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | -0.24 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | -0.89 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | 0.868±0.577 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 0.037 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.22 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.056 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.041 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.041 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.037 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.041 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.045 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.089 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 0.48 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 2.2 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kobuninzi | 0.041 g/L | Amanzi angaphazanyiswanga pH 5.93; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.0 x 10-4 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 5.8 x 10-4 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.5 x 10-4 mol / L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-4 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-4 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.0 x 10-4 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-4 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.2 x 10-4 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.4 x 10-4 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.3 x 10-3 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 6.0 x 10-3 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.1 x 10-4 mol/L | Amanzi angaphazanyiswanga pH 5.93; Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 371.35 | ||
| pKa | 7.87±0.43 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Eyona Tempile iSiseko: 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 | 1.70±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 217.3±7.0 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 | 6 | (1) ACD | |
| H Abamkeli | 10 | (1) ACD | |
| H Abaxhasi | 4 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 14 | (1) ACD | |
| logP | 0.868±0.577 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 371.35 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo olunxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 143 A2 | (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 |
| H333 | Inokuba yingozi ukuba itsaliwe | Ingcaphephe iCandwe |
| H303 | Inokuba yingozi xa iginyiwe | Ingcaphephe iCandwe |
| H302 | Kuyingozi ukuba iginyiwe | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo olwaziswayo kunye nokuleyibhelishwa - uninzi lwezaziso ezixhaphakileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
ULuhlu oluLawulayo: REACH, TCSI
Ulwazi lweShishini oluyiMfihlo: lukaRhulumente
| Izithethantonye ezilawulayo | ||
| Adenosine, N-benzoyl- | FIKA, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | FIKELELA | - |
| N6-Benzoyladenosine | FIKELELA | - |
Iinkcukacha ngokweLizwe/Izizwe ngezizwe kunye nolunye uluhlu lweeNkcukacha zeLizwe/INgingqi ezifumanekayo
IsiShwankathelo seManyano yaseYurophu
Ubume be-Inventory kwi-REACH Uluhlu lwezinto ezibhalisiweyo
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Inombolo yoLuhlu oluLawulwayo lwe-EC No.: 610-251-3
Isishwankathelo saseTaiwan
Ubume be-Inventory kwi-TCSI URhulumente waseTaiwan uGa
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