1,2-Di(cis-9-octadecenoyl)-sn-glycero-3-phosphocholine

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Basic information

CAS: 68737-67-7
Standard SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
InChIKey: SNKAWJBJQDLSFF-UHFFFAOYSA-N
Molecular formula: C44H84NO8P
Average molar mass: 786.1 g/mol
Monoisotopic mass: 785.59345564

Overview

See also: 1,2-Dioleoyl-sn-glycero-3-phosphocholine (annotation moved to).

Names & identifiers

Preferred name: 1,2-Di(cis-9-octadecenoyl)-sn-glycero-3-phosphocholine
IUPAC: 2,3-di(octadec-9-enoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Names & synonyms

1,2-Di(cis-9-octadecenoyl)-sn-glycero-3-phosphocholine56648-95-4C44H84NO8PMFCD001351913-sn-Phosphatidylcholine, 1,2-dioleoylL-b,?-Dioleoyl-?-lecithinL-?-Phosphatidylcholine,dioleoylDTXSID90988429FD158861, 2-dioleoyl-sn-glycero-3-phosphocholine2,3-Bis[(9Z)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl p hosphate2,3-Bis[(octadec-9-enoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate

Show more names

2,3-di(octadec-9-enoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

Database identifiers

CAS: 68737-67-7
PubChem CID: 103587
DTXSID: DTXSID90988429

Properties

Computed structural properties

XLogP: 13.8
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 42
Heavy atoms: 54
Formal charge: 0
Complexity: 972

Related reactions

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Compound notes

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