HuagongsheHuagongshe Chemistry Print Report · For research reference only
Myxinol
Myxinol · 5α-Cholestane-3β,7α,16α,26-tetraol · Cholestane-3,7,16,26-tetrol, (3β,5α,7α,16α)-
Identifiers & Physical Properties
| CAS No. | 16812-98-9 |
|---|---|
| Molecular formula | C27H48O4 |
| Average molar mass | 436.7 g/mol |
| SMILES | CC(CO)CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChIKey | NHNHDZACHWAKJW-NSPSUJRFSA-N |
Chemical & Physical Properties
| XLogP | 5.3 |
|---|---|
| Topological polar surface area | 80.9 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 624 |
| Lipids | Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C27 bile acids, alcohols, and derivatives [ST0403] |
| Melting point | 206 °C |
| Boiling point | 572.6±35.0 °C(Predicted) |
| Density | 1.098±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.71±0.70(Predicted) |