(3-Carboxy-2-octadeca-9,12-dienoyloxypropyl)-trimethylazanium
Basic information
- Standard SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C- InChIKey
MJLXQSQYKZWZCB-UHFFFAOYSA-O- Molecular formula
- C25H46NO4+
- Average molar mass
- 424.6 g/mol
Names & identifiers
- Preferred name
- (3-Carboxy-2-octadeca-9,12-dienoyloxypropyl)-trimethylazanium
- IUPAC
- (3-carboxy-2-octadeca-9,12-dienoyloxypropyl)-trimethylazanium
Database identifiers
- PubChem CID
- 54075642
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 506
Related reactions
1 records
Compound notes
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