2-Keto-D-gluconic acid
calcium bis(3,4,5,6-tetrahydroxy-2-oxohexanoate)
Also Known As: 2-Keto-D-gluconic acid|2-KETOGLUCONIC ACID, CA SALT|calcium;3,4,5,6-tetrahydroxy-2-oxohexanoate|Calcium 3,4,5,6-tetrahydroxy-2-oxo-hexanoate|2-Keto-D-gluconic acid hemicalcium salt monohydrate|D-Arabino-2-hexulopyranosonic acid hemicalcium salt|[(3,4,5,6-tetrahydroxy-2-oxohexanoyl)oxy]calcio 3,4,5,6-tetrahydroxy-2-oxohexanoate
CAS: 28098-92-2
| Molecular Formula | C12H18CaO14 |
|---|---|
| Molecular Weight | 426.03226 g/mol |
| LogP | -9.62 |
| Topological Polar Surface Area | 276.24 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 426.03226 |
| Monoisotopic Mass | 426.03226 |
| Heavy Atoms | 27 |
| Complexity | 452.48944 |
Chemical Identifiers
| CAS Number | 28098-92-2 |
|---|---|
| SMILES | C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.[Ca+2] |
Product Overview
2-Keto-D-gluconic acid (CAS 28098-92-2), with molecular formula C12H18CaO14 and molecular weight 426.03226 g/mol. IUPAC: calcium bis(3,4,5,6-tetrahydroxy-2-oxohexanoate).
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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