Basic information
- CAS
61042-99-7- Standard SMILES
COC(=O)C[C@H](C[N+](C)(C)C)OC(C)=O.[Br-]- InChIKey
GBCPRKRBVFHBGT-SBSPUUFOSA-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, (D)-
- IUPAC
- [(2R)-2-acetyloxy-4-methoxy-4-oxobutyl]-trimethylazanium bromide
Names & synonyms
Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, acetate, (D)-61042-99-7RefChem:1076758D(+)-Azetylkarnitinmethylesterbromid [German]D(+)-Azetylkarnitinmethylesterbromid(D)-(3-Carboxy-2-hydroxypropyl)trimethylammonium bromide methyl ester acetateDTXSID10976540(2R)-2-(Acetyloxy)-4-methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium bromide2-(Acetyloxy)-4-methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium bromide
Database identifiers
- CAS
61042-99-7- PubChem CID
- 43528
- DTXSID
DTXSID10976540
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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