| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80948557 |
| InChI Key | XFIRMLBRMBPHRH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H20O6 |
| Molecular Weight | 272.13 |
| AlogP | 0.68 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 77.66 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 25677-88-7 |
| NORMAN SUSDAT | |
| PubChem | 117271 |