Dioctanoyl phosphatidylcholine structure

Dioctanoyl phosphatidylcholine

2,3-di(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Also Known As: Doct-PC|1,2-Dioctanoyl PC|1,2-Octanoylphosphatidylcholine|Doct-S-PC|Dic8-S-PC|1,2-Dioctanoylthiophosphatidylcholine|Dioctanoyl phosphatidylcholine|1,2-Octanoyl-sn-glycero-3-phosphocholine|1,2-Dioctanoyl Phosphatidylcholine|PC 16:0|1,2-Dioctanoyl-sn-glycero-3-phosphocholine|2,3-di(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate|3-S-Phosphocholine-1,2-O-dioctanoyl-3-mercapto-1,2-propanediol|2,3-Bis(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate|2-(2,3-dioctanoyloxypropoxy-oxido-phosphoryl)oxyethyl-trimethyl-azanium|3,5,9-Trioxa-4-phosphaheptadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-, inner salt, 4-oxide|4-Hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-3,5,9-trioxa-4-phosphaheptadecan-1-aminium hydroxide, inner salt, 4-oxide, (+-)-|3,5,9-Trioxa-4-phosphaheptadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-, hydroxide, inner salt, 4-oxide, (+-)-

CAS: 19191-91-4
Molecular Formula C24H48NO8P
Molecular Weight 509.31177 g/mol
LogP 4.8
Topological Polar Surface Area 111.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 24
Exact Mass 509.31177
Monoisotopic Mass 509.31177
Heavy Atoms 34
Complexity 586.0

Chemical Identifiers

CAS Number 19191-91-4
SMILES CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChIKey YHIXRNNWDBPKPW-UHFFFAOYSA-N

Product Overview

Dioctanoyl phosphatidylcholine (CAS 19191-91-4), with molecular formula C24H48NO8P and molecular weight 509.31177 g/mol. IUPAC: 2,3-di(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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