Showing Metabocard for 2-hydroxyadipate (BASm0003109)
| Common Name | 2-hydroxyadipate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C6H8O5 |
| Average Mass | 160.12600 |
| Monoisotopic Mass | 160.03827 |
| IUPAC Name | 2-hydroxyhexanedioic acid |
| Traditional Name | 2-hydroxyadipic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])CCCC(O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/p-2 |
| InChI Key | OTTXIFWBPRRYOG-UHFFFAOYSA-L |
| CHEBI ID | CHEBI:57987 |
| MiMeDB ID | MMDBc0049078 |
| State | Expected Solid |
| Water Solubility | 7.03e+01 g/l |
| logP | -0.79 |
| logS | -0.36 |
| pKa (Strongest Acidic) | 3.44 |
| pKa (Strongest Basic) | -3.80 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 94.83 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 34.23 m³·mol⁻¹ |
| Polarizability | 14.88 |