HuagongsheHuagongshe Chemistry Print Report · For research reference only
Calystegine B5
Calystegine B5 · 8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol, (1R,2R,4S,5R,7S)-
Identifiers & Physical Properties
| CAS No. | 197565-91-6 |
|---|---|
| Molecular formula | C7H13NO4 |
| Average molar mass | 175.18 g/mol |
| SMILES | OC1CC(O)C2(O)NC1CC2O |
| PubChem CID | 101411237 |
Chemical & Physical Properties
| Boiling point | 388.1±42.0 °C(Predicted) |
|---|---|
| Density | 1.722±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 13.69±0.70(Predicted) |