5-Ketogluconic acid
(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid
Also Known As: 5-keto-D-gluconic acid|5-Ketogluconic acid|d-xylo-5-hexulosonic acid|5-Dehydrogluconate|5-Oxo-D-gluconic acid|D-tagaturonic acid|5-dehydro-D-gluconate|5-keto-D-gluconicacid|D-Gluconic acid, 5-keto-|D-xylo-[5]hexulosonic acid|D-xylo-hex-5-ulosonic acid|5-dehydro-D-gluconic acid|xylo-5-Hexulosonic acid|Ascorbic Acid Impurity 4|5-Oxo-5-deoxy-D-gluconic acid|(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid|5-Deoxy-5-oxo-D-gluconic acid|5,5-O-Didehydro-D-gluconic acid|K-9626|(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxo-hexanoic acid|923-251-6
| Molecular Formula | C6H10O7 |
|---|---|
| Molecular Weight | 194.04265 g/mol |
| LogP | -3.2849 |
| Topological Polar Surface Area | 135.29 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.04265 |
| Monoisotopic Mass | 194.04265 |
| Heavy Atoms | 13 |
| Complexity | 201.15945 |
Chemical Identifiers
| CAS Number | 815-89-4 |
|---|---|
| SMILES | C(C(=O)[C@H]([C@@H]([C@H](C(=O)O)O)O)O)O |
Product Overview
5-Ketogluconic acid (CAS 815-89-4), with molecular formula C6H10O7 and molecular weight 194.04265 g/mol. IUPAC: (2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid.