HuagongsheHuagongshe Chemistry Print Report · For research reference only
Allyl 3-deoxygalactopyranoside
allyl 3-deoxygalactopyranoside · β-D-xylo-Hexopyranoside, 2-propen-1-yl 3-deoxy-
Identifiers & Physical Properties
| CAS No. | 155835-98-6 |
|---|---|
| Molecular formula | C9H16O5 |
| Average molar mass | 204.22 g/mol |
| Monoisotopic mass | 204.09977361 g/mol |
| SMILES | C=CCO[C@@H]1O[C@H](CO)[C@H](O)C[C@H]1O |
| InChIKey | ZPDQCAKNFMONPK-FNCVBFRFSA-N |
| PubChem CID | 190820 |
| DTXSID | DTXSID70935294 |
Chemical & Physical Properties
| XLogP | -0.4 |
|---|---|
| Topological polar surface area | 79.2 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 184 |
| Boiling point | 401.172±45.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.262±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 13.520±0.70(predicted) |