Hemiacetylcarnitinium
Basic information
- CAS
104928-58-7- Standard SMILES
C[C@@]1(O)C[N+](C)(C)C[C@H](CC(=O)O)O1.[Cl-]- InChIKey
ZDNWCPDGSHXFCB-KUSKTZOESA-N- Molecular formula
- C9H18ClNO4
- Average molar mass
- 239.69 g/mol
- Monoisotopic mass
- 239.0924357
Overview
structure given in first source
Names & identifiers
- Preferred name
- Hemiacetylcarnitinium
- IUPAC
- 2-[(2S,6S)-6-hydroxy-4,4,6-trimethylmorpholin-4-ium-2-yl]acetic acid chloride
Names & synonyms
Hemiacetylcarnitinium104928-58-7RefChem:1455356-carboxymethyl-2-hydroxy-2,4,4-trimethylmorpholinium chloride6-Carboxymethyl-2-hydroxy-2,4,4-trimethylmorpholinium ClMopholinium, 2-hydroxy-6-(2-hydroxy-2-oxoethyl)-2,4,4-trimethyl-, chloride, trans-(+-)-
Database identifiers
- CAS
104928-58-7- PubChem CID
- 128706
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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