HuagongsheHuagongshe Chemistry Print Report · For research reference only
9-(5-Deoxypentofuranosyl)-9H-purin-6-amine
Nsc102642 · 6-Amino-9-(5-deoxy-α-D-xylofuranosyl)-9H-purine · 9H-Purin-6-amine, 9-(5-deoxy-α-D-xylofuranosyl)- · 9H-Purin-6-amine, 9-(5-deoxy-.alpha.-D-xylofuranosyl)-
Identifiers & Physical Properties
| CAS No. | 4152-76-5 |
|---|---|
| Molecular formula | C10H13N5O3 |
| Average molar mass | 251.24 g/mol |
| SMILES | CC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
| InChIKey | XGYIMTFOTBMPFP-SQQSDITASA-N |
| PubChem CID | 142 |
Chemical & Physical Properties
| XLogP | -0.6 |
|---|---|
| Topological polar surface area | 119 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 320 |
| Boiling point | 595.0±60.0 °C(Predicted) |
| Density | 1.93±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 13.29±0.70(Predicted) |