Showing Metabocard for (R)-malate (BASm0000376)
| Common Name | (r)-malate |
|---|---|
| Description | D-Malic acid is found in herbs and spices. This enantiomer of rare occurrence; reported from fruits and leaves of Hibiscus sabdariffa (roselle) although there are many more isolations of malic acid with no opt. rotn. given and some may be of the R-for |
| Structure | |
| Molecular Formula | C4H6O5 |
| Average Mass | 134.08740 |
| Monoisotopic Mass | 134.02152 |
| IUPAC Name | (2R)-2-hydroxybutanedioic acid |
| Traditional Name | .+-.-malic acid |
| CAS Registry Number | 636-61-3 |
| SMILES | O=C([O-])C[C@@H](O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 |
| InChI Key | BJEPYKJPYRNKOW-UWTATZPHSA-N |
| CHEBI ID | CHEBI:15588 |
| HMDB ID | HMDB0031518 |
| State | Solid |
| Water Solubility | 2.18e+02 g/l |
| logP | -0.87 |
| logS | 0.21 |
| pKa (Strongest Acidic) | 3.20 |
| pKa (Strongest Basic) | -3.91 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 94.83 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 24.88 m³·mol⁻¹ |
| Polarizability | 10.93 |