Showing Metabocard for 5-dehydro-4-deoxy-D-glucuronate (BASm0000847)
| Common Name | 5-dehydro-4-deoxy-d-glucuronate |
|---|---|
| Description | 5-dehydro-4-deoxy-D-glucuronate is a member of the chemical class known as Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
| Structure | |
| Molecular Formula | C6H8O6 |
| Average Mass | 176.12410 |
| Monoisotopic Mass | 176.03209 |
| IUPAC Name | (4S,5R)-4,5-dihydroxy-2,6-dioxohexanoic acid |
| Traditional Name | (4s,5r)-4,5-dihydroxy-2,6-dioxohexanoic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C[C@H](O)[C@@H](O)CC(=O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1 |
| InChI Key | IMUGYKFHMJLTOU-UCORVYFPSA-N |
| CHEBI ID | CHEBI:17117 |
| State | Not Available |
| Water Solubility | 5.95e+01 g/l |
| logP | -0.83 |
| logS | -0.47 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 6 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 111.9 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 35.26 m³·mol⁻¹ |
| Polarizability | 14.62 |