Showing Metabocard for (2R)-2,3-dihydroxy-3-methylbutanoate (BASm0002282)
| Common Name | (2r)-2,3-dihydroxy-3-methylbutanoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C5H9O4 |
| Average Mass | 133.12260 |
| Monoisotopic Mass | 133.05008 |
| IUPAC Name | (2R)-2,3-dihydroxy-3-methylbutanoic acid |
| Traditional Name | (2r)-2,3-dihydroxy-3-methylbutanoic acid |
| CAS Registry Number | Not Available |
| SMILES | CC(C)(O)[C@@H](O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/p-1/t3-/m0/s1 |
| InChI Key | JTEYKUFKXGDTEU-VKHMYHEASA-M |
| CHEBI ID | CHEBI:49072 |
| MiMeDB ID | MMDBc0033208 |
| State | Solid |
| Water Solubility | 5.29e+02 g/l |
| logP | -0.83 |
| logS | 0.60 |
| pKa (Strongest Acidic) | 3.80 |
| pKa (Strongest Basic) | -3.21 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 77.76 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 29.44 m³·mol⁻¹ |
| Polarizability | 12.48 |