C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Inombolo yoBhaliso yeCAS
22423-26-3
IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
Ubunzima beMolekyuli | 240.21 | - |
Indawo yokunyibilika (yoMfuniselo) | 218 °C | Isinyibilikisi: I-Ethanol; Isopropanol |
Indawo yokuBila (Kuqikelelwe) | 452.0±55.0 °C | Cinezela: 760 Torr |
Ukuxinana (Kuqikelelwe) | 1.88±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
pKa (Kuxelwe kwangaphambili) | 12.56±0.60 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
Isomeric UNCUMA
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[ H]
InChi
InChI= 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5- 7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1
Isitshixo se-InchI
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Amanye Amagama ale Nxibelelwano
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-enye (ACI);
6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl- (6CI, 7CI, 8CI); 6H-Furo
[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 IPHEPHA: I-18 ibango leDNA; 12: PN: US20040005565 IPHEPHA: 17- 22 ibango leDNA; 12: PN: US20040005570 IPHEPHA: I-DNA ebanga i-18; 12: PN: US20040006029 IPHEPHA: I-21 ibango leDNA; 12: PN: US20040014051 IPHEPHA: I-21 ibango leDNA; 1: PN: WO20050 06958 IPHEPHA: 59 ibango leDNA; 2,2′ -Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 IPHEPHA: 59 ibango leDNA; 84: PN: US20040005707 IPHEPHA: I-18 ibango leDNA; 9: PN: US20040014048 IPHEPHA: I-19 ibango leDNA; 9: PN: US20040014049 IPHEPHA: 19
ibango le-DNA;OI-2,2'-Anhydro-5-methyluridine; O2,2'-Anhydro-5-methyluridine; TK 112690
Iipropati ezikhoyo
Thermal
Ipropati | Ixabiso | Imeko | Umthombo |
Indawo yokunyibilika | 240-242 °C | (1) I-CAS | |
Indawo yokunyibilika | 218 °C | Isinyibilikisi: I-Ethanol; Isopropanol | (2) CAS |
Indawo yokunyibilika | Jonga iSibhalo esipheleleyo | (3) CAS | |
Indawo yokunyibilika | Jonga iSibhalo esipheleleyo | (4) CAS |
(1) uOliveira, uMaralise P.; Ijenali yeBrazilian Chemical Society, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; IiNucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) uManoharan, uMutiya; US20030088079, A1, 2003, CAPlus
(4) uMiraglia, uLoren J.; WO2003048315, A2, 2003, Caplus
ISpectra ikhona
1 H NMR
13 C NMR
Hetero NMR
IMisa
Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo olunxulumeneyo
Thermal
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)
Ipropati | Ixabiso | Imeko | Umthombo |
Koc | 12.9 | pH 1; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Ubushushu: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 1; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 2; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 3; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 4; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 5; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 6; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 7; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 8; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 9; Ubushushu: 25 °C | (1) ACD |
logD | -0.49 | pH 10; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
logP | -0.491±0.556 | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMass Intrinsic | 3.1 g/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 g/L | Amanzi angaphazanyiswanga pH 6.94; Ubushushu: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 0.013 mol/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.013 mol/L | Amanzi angaphazanyiswanga pH 6.94; Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 240.21 | ||
pKa | 12.56±0.60 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
pKa | -4.36±0.60 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
Uxinzelelo lomphunga | 4.54 x 10-10 Torr | Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ipropati | Ixabiso | Imeko | Umthombo |
Ukuxinana | 1.88±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
Umthamo weMolar | 127.5±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)
Ipropati | Ixabiso | Imeko | Umthombo |
Iibhondi eziGuquguqukayo ngokukhululekileyo | 3 | (1) ACD | |
H Abamkeli | 7 | (1) ACD | |
H Abaxhasi | 2 | (1) ACD | |
H Umnikeli/uMamkeli Isambuku | 9 | (1) ACD | |
logP | -0.491±0.556 | Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 240.21 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ipropati | Ixabiso | Umthombo wemeko |
Indawo yePolar Surface | 91.6 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ipropati | Ixabiso | Imeko | Umthombo |
Indawo yokubilisa | 452.0±55.0 °C | Cinezela: 760 Torr | (1) ACD |
I-Enthalpy yoMphunga | 82.04±6.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
Indawo yokuflasha | 227.2±31.5 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo ⁿ
1 H NMR
13 C NMR