Showing Metabocard for (R)-2-ethylmalate (BASm0002682)
| Common Name | (r)-2-ethylmalate |
|---|---|
| Description | 2-ethylmalate is a member of the chemical class known as Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups. 2-ethylmalate appears to be inovled in pyruvate metabolism. |
| Structure | |
| Molecular Formula | C6H10O5 |
| Average Mass | 162.14060 |
| Monoisotopic Mass | 162.05282 |
| IUPAC Name | 2-ethyl-2-hydroxybutanedioic acid |
| Traditional Name | 2-ethyl-2-hydroxybutanedioic acid |
| CAS Registry Number | Not Available |
| SMILES | CC[C@@](O)(CC(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10) |
| InChI Key | YVYGHRNLPUMVBU-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:57423 |
| State | Not Available |
| Water Solubility | 2.84e+02 g/l |
| logP | -0.86 |
| logS | 0.24 |
| 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 | 4 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 34.11 m³·mol⁻¹ |
| Polarizability | 14.49 |