- InChI
- InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
- InChI Key
- OLXZPDWKRNYJJZ-UHFFFAOYSA-N
- Formula
- C10H13N5O3
- SMILES
- Nc1ncnc2c1ncn2C1CC(O)C(CO)O1
- Molecular Weight1
- 251.24
- CAS
- 958-09-8
- Other Names
-
- 9H-Purin-6-amine, 9-(2-deoxy-«beta»-D-ribofuranosyl)-
- «beta»-D-Erythro-Pentofuranoside, adenine-9 2-deoxy-
- «beta»-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1,2-dideoxy-
- Adenine deoxyribonucleoside
- Adenyldeoxyriboside
- Deoxyadenosine
- Desoxyadenosine
- 2'-Deoxyadenosine
- 9H-Purin-6-amine, 9-(2-deoxy-«beta»-D-erythro-pentofuranosyl)-
- Adenine deoxy nucleoside
- 2-Deoxyadenosine
- 9-(2-Deoxy-«beta»-D-erythro-pentofuranosyl)adenine
- Adenine deoxyribose
- NSC 141848
- NSC 143510
- NSC 83258
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8966 | Relay (... Calculated Property | |
| PAff | 991.50 | kJ/mol | NIST |
| BasG | 959.10 | kJ/mol | NIST |
| EA | 0.70 ± 0.10 | eV | NIST |
| ΔfG° | 137.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -206.60 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 142.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -1.66 | Relay (... Calculated Property | |
| logPoct/wat | -0.951 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 3350.97 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 695.43 | K | Relay (... Calculated Property |
| Tc | 1079.64 | K | Relay (... Calculated Property |
| Tfus | 507.68 | K | Relay (... Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Adenosine, 2'-deoxy-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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