HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Hydroxy-1-adamantylmethyl difluorosulfoacetate
Identifiers & Physical Properties
| Molecular formula | C13H18F2O6S |
|---|---|
| Average molar mass | 340.34 g/mol |
| SMILES | O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)O |
| InChIKey | QGVOWZMNQQHYKQ-UHFFFAOYSA-N |
| PubChem CID | 57760366 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 109 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 582 |