| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60500596 |
| InChI Key | IELCLUJNTNQUEW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H22O6 |
| Molecular Weight | 274.14 |
| AlogP | 1.13 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 71.06 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 35113-48-5 |
| NORMAN SUSDAT | |
| PubChem | 12502784 |
| ChemSpider | 13834602.0 |