1-Oleoyl-2-stearoylphosphatidylcholine
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Basic information
- CAS
7319-55-3- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC- InChIKey
NMJCSTNQFYPVOR-XDOYNYLZSA-N- Molecular formula
- C44H86NO8P
- Average molar mass
- 788.1 g/mol
- Monoisotopic mass
- 787.6091057
Overview
RN given refers to the (Z)-isomer; RN for cpd without isomeric designation not available 4/91
Names & identifiers
- Preferred name
- 1-Oleoyl-2-stearoylphosphatidylcholine
- IUPAC
- [2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- trimethyl-[2-[[2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-o xido-phosphoryl]oxyethyl]azanium
- Molecular formula
- C44H86NO8P
- Molecular weight
- 788.14
Names & synonyms
1-Oleoyl-2-stearoylphosphatidylcholineOSPC7319-55-3RefChem:768013,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-, inner salt, 4-oxide, (Z)-[2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateDTXSID501366060[O-(1-O-Oleoyl-2-O-stearoyl-L-glycero-3-phospho)choline]aniontrimethyl-[2-[[2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-o xido-phosphoryl]oxyethyl]azanium
Database identifiers
- CAS
7319-55-3- PubChem CID
- 6449784
- DTXSID
DTXSID501366060
Properties
Computed structural propertiesFilling in
- XLogP
- 14.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 43
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 930
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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