Showing Metabocard for 3-hydroxyglutarate (BASm0012097)
| Common Name | 3-hydroxyglutarate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C5H6O5 |
| Average Mass | 146.09900 |
| Monoisotopic Mass | 146.02262 |
| IUPAC Name | 3-hydroxypentanedioic acid |
| Traditional Name | 3-hydroxyglutaric acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])CC(O)CC(=O)[O-] |
| InChI Identifier | InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2 |
| InChI Key | ZQHYXNSQOIDNTL-UHFFFAOYSA-L |
| CHEBI ID | CHEBI:191379 |
| MiMeDB ID | MMDBc0049035 |
| State | Expected Solid |
| Water Solubility | 1.72e+02 g/l |
| logP | -1.17 |
| logS | 0.06 |
| pKa (Strongest Acidic) | 3.52 |
| pKa (Strongest Basic) | -2.91 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 94.83 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 29.50 m³·mol⁻¹ |
| Polarizability | 12.91 |