C13H19N5O5 Adenosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
Inombolo Yokubhalisa ye-CAS
168427-74-5
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 325.32 | - |
| Iphoyinti lokubilisa (elibikezelwe) | 639.0±65.0 °C | Cindezela: 760 Torr |
| Ukuminyana (Kubikezelwe) | 1.70±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 13.12±0.70 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical SMILES
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
I-Isomeric SMILES
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
I-InChI
I-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/h5-7,9-10,13,19-20H,2-4H2,1H3, (H2,14,15,16)/t7-,9-,10-,13-/ m1/s1
Ukhiye we-InchI
I-PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Elinye Igama lale nto
2′-O-(2-Methoxyethyl)adenosine (ACI)
I-Spectra iyatholakala
1 H NMR
13 C NMR
Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
Lipinski
Okuhlobene Nesakhiwo
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 1.0 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.18 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.31 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.32 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.32 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.32 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.32 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Koc | 1.0 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3.39 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 19.4 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| Koc | 42.5 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -1.94 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -1.48 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.64 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.12 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.41 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.46 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.46 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.46 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.46 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 0.46 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logP | 0.462±0.647 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 4.2 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 999 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 381 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 55 g/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 9.4 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.9 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.2 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.2 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.2 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.2 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.2 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.2 g/L | Amanzi Angakhiqiziwe pH 8.08; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 0.013 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 3.07 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.17 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.17 mol/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.029 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.015 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Molar Solubility | 0.013 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.013 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.013 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.013 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.013 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.013 mol/L | Amanzi Angakhiqiziwe pH 8.08; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 325.32 | ||
| pKa | 13.12±0.70 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
| I-Vapor Pressure | 3.35 x 10-17 Torr | Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.70±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 191.2±7.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 8 | (1) ACD | |
| H Abamukelayo | 10 | (1) ACD | |
| H Abanikeli | 4 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 14 | (1) ACD | |
| logP | 0.462±0.647 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 325.32 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Umthombo Wesimo |
| Indawo ye-Polar Surface | 138 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Impahla | Inani | Isimo | Umthombo |
| Iphuzu elibilayo | 639.0±65.0 °C | Cindezela: 760 Torr | (1) ACD |
| I-Enthalpy ye-Vaporization | 99.17±3.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
| I-Flash Point | 340.2±34.3 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
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