C11H15N5O4 Adenosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
CAS rejisitra laharana
2140-79-6
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 281.27 | - |
| Teboka fandrehitra (andrana) | 204-206 ° C | - |
| Teboka mangotraka (voavinavina) | 623,8±65,0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,84±0,1 g/cm3 | Mafana: 20 °C;Press: 760 Torr |
| pKa (voavinavina) | 13.13±0.70 | Mafana asidra indrindra: 25 °C |
Canonical SMILES
OCC1OC(N2C= NC=3C(= NC=NC32)N)C(OC)C1O
SMILES Isomerique
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O
InChI
InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6) 16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
InChI Key
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Anarana hafa ho an'ity akora ity
2′-O-Methyladenosine (ACI);Cordysinin B
Properties misy
mafana
| NY FANANANA | sarobidy | Loharanon'ny toe-javatra |
| Teboka mitsonika | 204-206 ° C | (1) CAS |
(1) Martinez-Montero, Saul;Gazety Eoropeana momba ny simia organika, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus
Spectra misy
1 H NMR
13 C NMR
IR
-bahoaka
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 | 1.78 | pH 5;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.97 | pH 6;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.99 | pH 7;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.99 | pH 8;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.99 | pH 9;Mafana: 25 °C | (1) ACD |
| Loharanon'ny toe-piainana sandan'ny fananana |
| Bioconcentration Factor 1.99 pH 10;Temp: 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 | 4.54 | pH 3;Mafana: 25 °C | (1) ACD |
| Koc | 26.0 | pH 4;Mafana: 25 °C | (1) ACD |
| Koc | 51.0 | pH 5;Mafana: 25 °C | (1) ACD |
| Koc | 56.4 | pH 6;Mafana: 25 °C | (1) ACD |
| Koc | 57.0 | pH 7;Mafana: 25 °C | (1) ACD |
| Koc | 57.1 | pH 8;Mafana: 25 °C | (1) ACD |
| Koc | 57.1 | pH 9;Mafana: 25 °C | (1) ACD |
| Koc | 57.0 | pH 10;Mafana: 25 °C | (1) ACD |
| logD | -1.70 | pH 1;Mafana: 25 °C | (1) ACD |
| logD | -1.25 | pH 2;Mafana: 25 °C | (1) ACD |
| logD | -0.40 | pH 3;Mafana: 25 °C | (1) ACD |
| logD | 0.36 | pH 4;Mafana: 25 °C | (1) ACD |
| logD | 0.65 | pH 5;Mafana: 25 °C | (1) ACD |
| logD | 0.69 | pH 6;Mafana: 25 °C | (1) ACD |
| logD | 0.70 | pH 7;Mafana: 25 °C | (1) ACD |
| logD | 0.70 | pH 8;Mafana: 25 °C | (1) ACD |
| logD | 0.70 | pH 9;Mafana: 25 °C | (1) ACD |
| logD | 0.70 | pH 10;Mafana: 25 °C | (1) ACD |
| logP | 0,697±0,596 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 3,7 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 886 g/L | pH 1;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 309 g/L | pH 2;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 45 g/L | pH 3;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 7,9 g/L | pH 4;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,9 g/L | pH 5;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,7 g/L | pH 6;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,7 g/L | pH 7;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Mass Solubility | 3,7 g/L | pH 8;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,7 g/L | pH 9;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,7 g/L | pH 10;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,7 g/L | Rano tsy voaaro pH 8.07;Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 0,013 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,15 mol/L | pH 1;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,10 mol/L | pH 2;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,16 mol/L | pH 3;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,028 mol/L | pH 4;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,014 mol/L | pH 5;Mafana: 25 °C | (1) ACD |
| 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 8.07;Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 281.27 | ||
| pKa | 13.13±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 | 2.02 x 10-16 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 | 1,84±0,1 g/cm3 | Mafana: 20 °C;Press: 760 Torr | (1) ACD |
| Boky molar | 152.5±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 | Loharanon'ny toe-javatra |
| Fatorana azo ahodina malalaka | 5 | (1) ACD |
| H Acceptors | 9 | (1) ACD |
| H Mpanome | 4 | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| H Donor/Acceptor Sum | 13 | (1) ACD | |
| logP | 0,697±0,596 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 281.27 |
(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 | 129 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 | 623,8±65,0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 97.11±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 331,0±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
1 H NMR
13 C NMR
| fehezan-dalàna | Fanambarana loza | Source |
| H303 | Mety hanimba raha atelina | Expert Curated |
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