Showing Metabocard for 2-dehydro-3-deoxy-D-gluconate (BASm0003111)
| Common Name | 2-dehydro-3-deoxy-d-gluconate |
|---|---|
| Description | 2-Keto-3-deoxy-D-gluconic acid is a substrate for Fructose-bisphosphate aldolase A. |
| Structure | |
| Molecular Formula | C6H10O6 |
| Average Mass | 178.14000 |
| Monoisotopic Mass | 178.04774 |
| IUPAC Name | (4R,5R)-4,5,6-trihydroxy-2-oxohexanoic acid |
| Traditional Name | (4r,5r)-4,5,6-trihydroxy-2-oxohexanoic acid |
| CAS Registry Number | 17510-99-5 |
| SMILES | O=C([O-])C(=O)C[C@H](O)[C@H](O)CO |
| InChI Identifier | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1 |
| InChI Key | WPAMZTWLKIDIOP-NQXXGFSBSA-N |
| CHEBI ID | CHEBI:57990 |
| HMDB ID | HMDB0001353 |
| State | Solid |
| Water Solubility | 1.34e+02 g/l |
| logP | -1.87 |
| logS | -0.12 |
| pKa (Strongest Acidic) | 2.91 |
| pKa (Strongest Basic) | -2.97 |
| Hydrogen Acceptor Count | 6 |
| Hydrogen Donor Count | 4 |
| Polar Surface Area | 115.06 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 36.32 m³·mol⁻¹ |
| Polarizability | 15.54 |