Showing Metabocard for (2R,3R)-2,3-dihydroxy-3-methylpentanoate (BASm0002307)
| Common Name | (2r,3r)-2,3-dihydroxy-3-methylpentanoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C6H11O4 |
| Average Mass | 147.14910 |
| Monoisotopic Mass | 147.06573 |
| IUPAC Name | (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid |
| Traditional Name | (2r,3r)-2,3-dihydroxy-3-methylpentanoic acid |
| CAS Registry Number | Not Available |
| SMILES | CC[C@@](C)(O)[C@@H](O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/p-1/t4-,6+/m0/s1 |
| InChI Key | PDGXJDXVGMHUIR-UJURSFKZSA-M |
| CHEBI ID | CHEBI:49258 |
| MiMeDB ID | MMDBc0033209 |
| State | Solid |
| Water Solubility | 4.86e+02 g/l |
| logP | -0.44 |
| logS | 0.52 |
| pKa (Strongest Acidic) | 3.93 |
| pKa (Strongest Basic) | -3.32 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 77.76 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 33.96 m³·mol⁻¹ |
| Polarizability | 14.43 |