C13H19N5O5 Adenosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
Inombolo yoBhaliso yeCAS
168427-74-5
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 325.32 | - |
| Indawo yokuBila (Kuqikelelwe) | 639.0±65.0 °C | Cinezela: 760 Torr |
| Ukuxinana (Kuqikelelwe) | 1.70±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 13.12±0.70 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
Isomeric UNCUMA
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChi
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10-23-13,12,12,9-10-23,12,12,12 (H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Isitshixo se-InchI
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Elinye iGama lesi Sithombo
2′-O-(2-Methoxyethyl)adenosine (ACI)
ISpectra ekhoyo
1 H NMR
13 C NMR
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 | 1.18 | pH 5; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.31 | pH 6; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.32 | pH 7; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.32 | pH 8; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.32 | pH 9; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.32 | 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 | 1.0 | pH 1; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Ubushushu: 25 °C | (1) ACD |
| Koc | 3.39 | pH 3; Ubushushu: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4; Ubushushu: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5; Ubushushu: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6; Ubushushu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 42.5 | pH 8; Ubushushu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9; Ubushushu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logD | -1.94 | pH 1; Ubushushu: 25 °C | (1) ACD |
| logD | -1.48 | pH 2; Ubushushu: 25 °C | (1) ACD |
| logD | -0.64 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | 0.12 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | 0.41 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | 0.46 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | 0.46 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | 0.46 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | 0.46 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | 0.46 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | 0.462±0.647 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 4.2 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 999 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 381 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 55 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 9.4 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.9 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.2 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.2 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.2 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.2 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.2 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.2 g/L | Amanzi angaphazanyiswanga pH 8.08; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 0.013 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 3.07 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 1.17 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 0.17 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 0.029 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 0.015 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| 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 8.08; Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 325.32 | ||
| pKa | 13.12±0.70 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
| Uxinzelelo lomphunga | 3.35 x 10-17 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 | 1.70±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 191.2±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 | 8 | (1) ACD | |
| H Abamkeli | 10 | (1) ACD | |
| H Abaxhasi | 4 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 14 | (1) ACD | |
| logP | 0.462±0.647 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 325.32 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Umthombo wemeko |
| Indawo yePolar Surface | 138 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yokubilisa | 639.0±65.0 °C | Cinezela: 760 Torr | (1) ACD |
| I-Enthalpy yoMphunga | 99.17±3.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
| Indawo yokuflasha | 340.2±34.3 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
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