| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 72DU7F2YXZ |
| EPA CompTox | DTXSID1041473 |
| InChI Key | IXFAFGFZFQHRLB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H30O6 |
| Molecular Weight | 294.2 |
| AlogP | 1.13 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 17.0 |
| Polar Surface Area | 55.38 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 23601-39-0 |
| NORMAN SUSDAT | |
| FDA SRS | 72DU7F2YXZ |
| PubChem | 90206 |
| ChemSpider | 81438.0 |