Basic information
- CAS
56649-39-9- Standard SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC- InChIKey
SDEURMLKLAEUAY-YEUCEMRASA-N- Molecular formula
- C52H100NO8P
- Average molar mass
- 898.3 g/mol
- Monoisotopic mass
- 897.71865615
Names & identifiers
- Preferred name
- Dierucoylphosphatidylcholine, DL-
- IUPAC
- 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Names & synonyms
Dierucoylphosphatidylcholine, DL-56649-39-9DL-dierucoylphosphatidylcholine1,2-DierucoylphosphatidylcholineUNII-47117161LD47117161LD2,3-bis(((Z)-docos-13-enoyl)oxy)propyl (2-(trimethylammonio)ethyl) phosphateQ272589822,3-bis[[(Z)-docos-13-enoyl]oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-TRIOXA-4-PHOSPHAHENTRIACONT-22-EN-1-AMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-(((13Z)-1-OXO-13-DOCOSEN-1-YL)OXY)-, INNER SALT, 4-OXIDE, (22Z)-3,5,9-TRIOXA-4-PHOSPHAHENTRIACONT-22-EN-1-AMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-(((13Z)-1-OXO-13-DOCOSENYL)OXY)-, INNER SALT, 4-OXIDE, (22Z)-3,5,9-TRIOXA-4-PHOSPHAHENTRIACONT-22-EN-1-AMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-((1-OXO-13-DOCOSENYL)OXY)-, INNER SALT, 4-OXIDE, (Z,Z)-
Database identifiers
- CAS
56649-39-9- PubChem CID
- 11614905
- UNII
- 47117161LD
Properties
Computed structural properties
- XLogP
- 18.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 50
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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