Methyl 2-keto-D-gluconate
Basic information
- CAS
21063-40-1- Standard SMILES
COC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
KPHIBLNUVRGOGU-WDCZJNDASA-N- Molecular formula
- C7H12O7
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.05830272
Names & identifiers
- Preferred name
- Methyl 2-keto-D-gluconate
- IUPAC
- methyl (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate
Names & synonyms
Methyl 2-keto-D-gluconateD-arabino-2-Hexulosonic acid, methyl ester21063-40-1METHYL 2-KETOGLUCONATE17CQ621NHNEINECS 244-187-9METHYL D-ARABINO-HEXULOSONATEDTXSID4027814RefChem:814493DTXCID207814methyl D-fructosonateMethyl 2-oxogluconate
Show more names
D-arabino-Hexulosonic acid, methyl esterUNII-17CQ621NHNNS00026777Q27251900
Database identifiers
- CAS
21063-40-1- PubChem CID
- 88770
- DTXSID
DTXSID4027814- UNII
- 17CQ621NHN
- EC Number
- 244-187-9
- Nikkaji
- J225.390I
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationD-arabino-2-Hexulosonic acid, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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