1,2-Hexanoylphosphatidylcholine
Basic information
- CAS
53892-41-4- Standard SMILES
CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC- InChIKey
DVZARZBAWHITHR-UHFFFAOYSA-N- Molecular formula
- C20H40NO8P
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.24915423
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 1,2-Hexanoylphosphatidylcholine
- IUPAC
- 2,3-di(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1,2-hexanoylphosphatidylcholine
- Molecular formula
- C20H40NO8P
- Molecular weight
- 453.507261
Names & synonyms
Dihexanoyl-lecithin53892-41-41,2-Hexanoylphosphatidylcholine1,2-Hexanoyl-sn-glycero-3-phosphocholineRefChem:72094Dihexanoylphosphatidylcholine1,2-Dihexanoyl-sn-Glycero-3-Phosphatidylcholine2,3-di(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphateCHEMBL346715SCHEMBL30312076DTXSID80968679PD085599
Show more names
DL-A-PHOSPHATIDYLCHOLINE, DIHEXANOYL"DL-A-PHOSPHATIDYLCHOLINE, DIHEXANOYL D40"
HY-165870NS000739682,3-Bis(hexanoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate2,3-Bis(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-Trioxa-4-phosphapentadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxohexyl)oxy)-, hydroxide, inner salt, 4-oxide
Database identifiers
- CAS
53892-41-4- PubChem CID
- 124160
- DTXSID
DTXSID80968679- ChEMBL
CHEMBL346715
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 527
Chemistry & industry
Applications
Uses1,2-Dihexanoyl-sn-glycero-3-phosphatidylcholine is an ester product.
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Related reactions
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Compound notes
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