- InChI
- InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)
- InChI Key
- VGONTNSXDCQUGY-UHFFFAOYSA-N
- Formula
- C10H12N4O4
- SMILES
- OCC1OC(n2cnc3c(O)ncnc32)CC1O
- Molecular Weight1
- 252.23
- CAS
- 890-38-0
- Other Names
-
- Deoxyinosine
- Hypoxanthine, 9-(2-deoxy-«beta»-D-erythro-pentofuranosyl)-
- 2'-Deoxyinosine
- ω : Acentric Factor.
- 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 | 0.9195 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -378.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 158.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.827 | Crippen Calculated Property | |
| McVol | 165.380 | ml/mol | McGowan Calculated Property |
| Pc | 4203.50 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 674.09 | K | Relay (1.0) Calculated Property |
| Tc | 1072.39 | K | Relay (1.0) Calculated Property |
| Tfus | 509.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Inosine, 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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