HuagongsheHuagongshe Chemistry Print Report · For research reference only
octyl 2-O-mannopyranosylmannopyranoside
octyl 2-O-mannopyranosylmannopyranoside · α-D-Mannopyranoside, octyl 2-O-α-D-mannopyranosyl-
Identifiers & Physical Properties
| CAS No. | 157758-68-4 |
|---|---|
| Molecular formula | C20H38O11 |
| Average molar mass | 454.5 g/mol |
| Monoisotopic mass | 454.24141202 g/mol |
| SMILES | CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| InChIKey | PIGYTUUYAIMFHS-YMCKZNNWSA-N |
| PubChem CID | 190888 |
| DTXSID | DTXSID30935795 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 179 |
| Hydrogen bond donors | 7 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 12 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 496 |
| Melting point | 169-171 °C |
| Boiling point | 676.4±55.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.88±0.70(Predicted) |