betaine choline [R-(R*,R*)]-tartrate
Basic information
- CAS
17176-43-1- Standard SMILES
C[N+](C)(C)CC(=O)[O-].C[N+](C)(C)CCO.O=C([O-])CC(O)(CCC(=O)O)C(=O)O- InChIKey
ZEAQSAWHNQUKPG-UHFFFAOYSA-M- Molecular formula
- C17H34N2O10
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.22134529
Names & identifiers
- Preferred name
- betaine choline [R-(R*,R*)]-tartrate
- IUPAC
- 3-carboxy-3,6-dihydroxy-6-oxohexanoate;2-hydroxyethyl(trimethyl)azanium;2-(trimethylazaniumyl)acetate
Names & synonyms
17176-43-1betaine choline [R-(R*,R*)]-tartrateBetaine choline (R-(R*,R*))-tartrate3-carboxy-3,6-dihydroxy-6-oxohexanoate;2-hydroxyethyl(trimethyl)azanium;2-(trimethylazaniumyl)acetateEINECS 241-225-6
Database identifiers
- CAS
17176-43-1- PubChem CID
- 28370
- EC Number
- 241-225-6
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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