Methyl 2-keto-D-gluconate
methyl (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate
Also Known As: Provitamin C|methyl D-fructosonate|Methyl 2-oxogluconate|Methyl 2-keto-D-gluconate|METHYL 2-KETOGLUCONATE|D-arabino-2-Hexulosonic acid, methyl ester|EINECS 244-187-9|METHYL D-ARABINO-HEXULOSONATE|D-arabino-Hexulosonic acid, methyl ester|D-arabino-2-Hexulosonic acid methyl ester|methyl (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate
| Molecular Formula | C7H12O7 |
|---|---|
| Molecular Weight | 208.0583 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 124.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.0583 |
| Heavy Atoms | 14 |
| Complexity | 214.1 |
Chemical Identifiers
| CAS Number | 21063-40-1 |
|---|---|
| SMILES | COC(=O)C(=O)[C@H]([C@@H]([C@@H](CO)O)O)O |
Product Overview
Methyl 2-keto-D-gluconate (CAS 21063-40-1), with molecular formula C7H12O7 and molecular weight 208.0583 g/mol. IUPAC: methyl (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate.
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