C13H19N5O5 Adenosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
CAS rejistra laharana
168427-74-5
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 325.32 | - |
| Teboka mangotraka (voavinavina) | 639.0±65.0°C | Press: 760 Torr |
| Density (voavinavina) | 1,70±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 13.12±0.70 | Mafana asidra indrindra: 25 °C |
Canonical SMILES
OCC1OC(N2C= NC=3C(= NC=NC32)N)C(OCCOC)C1O
SMILES Isomerique
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/h5-7,9-10,13,13-H (H2,14,15,16)/t7-,9-,10-,13-/m1/s1
InChI Key
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Anarana hafa ho an'ity akora ity
2′-O-(2-Methoxyethyl)adenosine (ACI)
Spectra misy
1 H NMR
13 C NMR
Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 1.0 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.18 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.31 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.32 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.32 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.32 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.32 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 1.0 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 3.39 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 42.5 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | -1.94 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | -1.48 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | -0.64 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 0.12 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 0.41 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 0.46 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 0.46 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 0.46 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 0.46 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 0.46 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 0,462±0,647 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 4,2 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 999 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 381 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 55 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 9,4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,9 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,2 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,2 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,2 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,2 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,2 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,2 g/L | Rano tsy voaaro pH 8.08; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 0,013 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,07 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,17 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,17 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,029 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,015 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 0,013 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,013 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,013 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,013 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,013 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,013 mol/L | Rano tsy voaaro pH 8.08; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 325.32 | ||
| pKa | 13.12±0.70 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
| Fanerena ny etona | 3.35 x 10-17 Torr | Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,70±0,1 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 191.2±7.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 8 | (1) ACD | |
| H Acceptors | 10 | (1) ACD | |
| H Mpanome | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 0,462±0,647 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 325.32 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | Loharanon'ny toe-javatra |
| Faritra ambonin'ny polar | 138 A2 | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka mangotraka | 639.0±65.0°C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 99,17±3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 340,2±34,3 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidine-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3 R,3aS,9aR)-) (9](https://www.csnvchem.com/uploads/C9H10N2O5-6H-Furo-300x300.png)
![C17H19N3O6 Timidina, α -oxo- α -[(phenylmethyl)amino]- (ACI)](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine-300x300.png)
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidina-6-iray, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS)-, (2R,3 R,3aS)](https://www.csnvchem.com/uploads/C10H12N2O5-6H-Furo-300x300.jpg)