| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4A0NCJ6RD6 |
| EPA CompTox | DTXSID80891933 |
Structure
| InChI Key | AGNTUZCMJBTHOG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H20O7 |
| Molecular Weight | 240.12 |
| AlogP | -2.91 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 119.61 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56090-54-1 |
| NORMAN SUSDAT | |
| FDA SRS | 4A0NCJ6RD6 |
| PubChem | 92007 |
| ChemSpider | 83072.0 |
CONTENTS
