Basic information
- CAS
61043-00-3- Standard SMILES
COC(=O)C[C@@H](C[N+](C)(C)C)OC(C)=O.[Br-]- InChIKey
GBCPRKRBVFHBGT-FVGYRXGTSA-M- Molecular formula
- C10H20BrNO4
- Average molar mass
- 298.17 g/mol
- Monoisotopic mass
- 297.05757
Names & identifiers
- Preferred name
- Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, acetate, (L)-
- IUPAC
- [(2S)-2-acetyloxy-4-methoxy-4-oxobutyl]-trimethylazanium bromide
Names & synonyms
Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, acetate, (L)-61043-00-3RefChem:1076759L(-)-Azetylkarnitinmethylesterbromid [German]L(-)-Azetylkarnitinmethylesterbromid(L)-(3-Carboxy-2-hydroxypropyl)trimethylammonium bromide methyl ester acetate
Database identifiers
- CAS
61043-00-3- PubChem CID
- 43530
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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