| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W83S1I1CJE |
| EPA CompTox | DTXSID80180652 |
Structure
| InChI Key | HKKZPBCWTDFVFB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H38O9 |
| Molecular Weight | 398.25 |
| AlogP | 0.4 |
| Hydrogen Bond Acceptor | 9.0 |
| Number of Rotational Bond | 24.0 |
| Polar Surface Area | 83.07 |
| Heavy Atoms | 27.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24991-55-7 |
| NORMAN SUSDAT | |
| FDA SRS | W83S1I1CJE |
| PubChem | 117703 |
CONTENTS
