| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R89QH9TSX6 |
| EPA CompTox | DTXSID20864823 |
Structure
| InChI Key | OTTXIFWBPRRYOG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O5 |
| Molecular Weight | 162.05 |
| AlogP | -0.31 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 94.83 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18294-85-4 |
| NORMAN SUSDAT | |
| FDA SRS | R89QH9TSX6 |
CONTENTS
