| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XO8API468S |
| EPA CompTox | DTXSID0052099 |
Structure
| InChI Key | HYDWALOBQJFOMS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H26O5 |
| Molecular Weight | 250.18 |
| AlogP | 1.11 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 14.0 |
| Polar Surface Area | 46.15 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4353-28-0 |
| NORMAN SUSDAT | |
| FDA SRS | XO8API468S |
| PubChem | 78057 |
| ChemSpider | 70436.0 |
CONTENTS
