Showing Metabocard for 2,5-dioxopentanoate (BASm0003224)
| Common Name | 2,5-dioxopentanoate |
|---|---|
| Description | This compound belongs to the family of Short-chain Keto Acids and Derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms |
| Structure | |
| Molecular Formula | C5H6O4 |
| Average Mass | 130.09870 |
| Monoisotopic Mass | 130.02661 |
| IUPAC Name | 2,5-dioxopentanoic acid |
| Traditional Name | 2-oxoglutarate semialdehyde |
| CAS Registry Number | Not Available |
| SMILES | O=CCCC(=O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9) |
| InChI Key | VHKNBDIQDAXGBL-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:58136 |
| HMDB ID | HMDB0060365 |
| State | Not Available |
| Water Solubility | 5.36e+01 g/l |
| logP | -0.02 |
| logS | -0.38 |
| pKa (Strongest Acidic) | 2.88 |
| pKa (Strongest Basic) | -6.95 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 71.44 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 27.96 m³·mol⁻¹ |
| Polarizability | 11.22 |