HuagongsheHuagongshe Chemistry Print Report · For research reference only
15-Hydroxy stearic acid
15-Hydroxyoctadecanoic acid · Octadecanoic acid, 15-hydroxy-

Identifiers & Physical Properties
| CAS No. | 36377-36-3 |
|---|---|
| Molecular formula | C18H36O3 |
| Average molar mass | 300.5 g/mol |
| Monoisotopic mass | 300.26644501 g/mol |
| SMILES | CCCC(O)CCCCCCCCCCCCCC(=O)O |
| InChIKey | BKVAAWMQOQLENB-UHFFFAOYSA-N |
| PubChem CID | 5282913 |
| ChEBI | CHEBI:177108 |
| DTXSID | DTXSID60415252 |
Chemical & Physical Properties
| XLogP | 6.3 |
|---|---|
| Topological polar surface area | 57.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 16 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 229 |
| Lipids | Fatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200] |
| Boiling point | 436.3±18.0 °C(Predicted) |
| Density | 0.944±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.78±0.10(Predicted) |