Basic information
- CAS
61042-98-6- Standard SMILES
COC(=O)C[C@@H](O)C[N+](C)(C)C.[Br-]- InChIKey
WAQDCJDFPCWFQK-OGFXRTJISA-M- Molecular formula
- C8H18BrNO3
- Average molar mass
- 256.14 g/mol
- Monoisotopic mass
- 255.04701
Names & identifiers
- Preferred name
- Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, (D)-
- IUPAC
- [(2R)-2-hydroxy-4-methoxy-4-oxobutyl]-trimethylazanium bromide
Names & synonyms
AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, BROMIDE, METHYL ESTER, (D)-61042-98-6RefChem:1076757D-(+)-Karnitinmethylesterbromid [German]D-(+)-Karnitinmethylesterbromid(D)-(3-Carboxy-2-hydroxypropyl)trimethylammonium bromide methyl ester
Database identifiers
- CAS
61042-98-6- PubChem CID
- 43526
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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