| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CLA99KCD53 |
| EPA CompTox | DTXSID90198304 |
Structure
| InChI Key | NPOAOTPXWNWTSH-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 | 4.0 |
| Polar Surface Area | 94.83 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 503-49-1 |
| NORMAN SUSDAT | |
| FDA SRS | CLA99KCD53 |
| PubChem | 1662 |
| ChemSpider | 1600.0 |
CONTENTS
