Betaine D-gluconate
Basic information
- CAS
94108-03-9- Standard SMILES
C[N+](C)(C)CC(=O)O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
UQBXMPGEPBEEAU-JJKGCWMISA-N- Molecular formula
- C11H23NO9
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13728131
Names & identifiers
- Preferred name
- Betaine D-gluconate
- IUPAC
- carboxymethyl(trimethyl)azanium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Names & synonyms
Betaine D-gluconateEINECS 302-340-8D-Gluconic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium
Database identifiers
- CAS
94108-03-9- PubChem CID
- 83883
- EC Number
- 302-340-8
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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