2-Deoxygluconic acid
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoic acid
Also Known As: 2-deoxygluconic acid|2-deoxy-D-gluconic acid|2-deoxy-D-gluconate|Glucodesonic acid|2-deoxygluconicacid|D-arabino-Hexonic acid, 2-deoxy-|2-deoxy-D-arabino-hexonic acid|(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoic acid|(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoate
CAS: 39102-59-5
| Molecular Formula | C6H12O6 |
|---|---|
| Molecular Weight | 180.06339 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.06339 |
| Monoisotopic Mass | 180.06339 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 39102-59-5 |
|---|---|
| SMILES | C([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)O |
| InChIKey | PALQXFMLVVWXFD-KODRXGBYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Analytical Reagents (5 patents)
Biotechnology (40 patents)
Coatings & Adhesives (4 patents)
Heterocyclic Building Blocks (3 patents)
Organic Building Blocks (1 patents)
Peptides & Amino Acids (8 patents)
Pharmaceutical Intermediates (3 patents)
Photographic Chemicals (7 patents)
Polymer Intermediates (3 patents)
Surfactants & Detergents (4 patents)
Product Overview
2-Deoxygluconic acid (CAS 39102-59-5), with molecular formula C6H12O6 and molecular weight 180.06339 g/mol. IUPAC: (3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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