Showing Metabocard for (2R,3S)-3-methylmalate (BASm0003515)
| Common Name | (2r,3s)-3-methylmalate |
|---|---|
| Description | D-erythro-3-methylmalate is a member of the chemical class known as Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
| Structure | |
| Molecular Formula | C5H8O5 |
| Average Mass | 148.11400 |
| Monoisotopic Mass | 148.03717 |
| IUPAC Name | (2R,3S)-2-hydroxy-3-methylbutanedioic acid |
| Traditional Name | (2r,3s)-2-hydroxy-3-methylbutanedioic acid |
| CAS Registry Number | Not Available |
| SMILES | C[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1 |
| InChI Key | NPYQJIHHTGFBLN-STHAYSLISA-N |
| CHEBI ID | CHEBI:58511 |
| State | Not Available |
| Water Solubility | 1.54e+02 g/l |
| logP | -0.33 |
| logS | 0.02 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 94.83 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 29.45 m³·mol⁻¹ |
| Polarizability | 12.74 |