1-Palmitoyl-2-(9,10-epoxystearoyl)phosphatidylcholine
Basic information
- CAS
80362-01-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC1OC1CCCCCCCC- InChIKey
GSWLBFLGSWEXML-UHFFFAOYSA-N- Molecular formula
- C42H82NO9P
- Average molar mass
- 776.1 g/mol
- Monoisotopic mass
- 775.57272019
Names & identifiers
- Preferred name
- 1-Palmitoyl-2-(9,10-epoxystearoyl)phosphatidylcholine
- IUPAC
- [3-hexadecanoyloxy-2-[8-(3-octyloxiran-2-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-palmitoyl-2-(9,10-epoxystearoyl)phosphatidylcholine
- Molecular formula
- C42H82NO9P
- Molecular weight
- 776.075541
Names & synonyms
Pes-ppc1-Palmitoyl-2-epoxystearoylphosphatidylcholine80362-01-21-Palmitoyl-2-(9,10-epoxystearoyl)phosphatidylcholine3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-((8-(3-octyloxiranyl)-1-oxooctyl)oxy)-10-oxo-, hydroxide, inner salt, 4-oxideRefChem:76846[3-hexadecanoyloxy-2-[8-(3-octyloxiran-2-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphateDTXSID5010011813-(hexadecanoyloxy)-2-{[8-(3-octyloxiran-2-yl)octanoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate1-Palmitoyl-2-(cis-9,10-epoxystearoyl)phosphatidylcholine
Database identifiers
- CAS
80362-01-2- PubChem CID
- 133449
- DTXSID
DTXSID501001181
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 41
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 936
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Related reactions
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Compound notes
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