1-(Myristoyl)-2-(7,7-difluoromyristoyl)glycero-3-phosphocholine
Basic information
- CAS
128022-95-7- Standard SMILES
CCCCCCCCCCCCCC(=O)O[C@@H](CCOP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC(F)(F)CCCCCCC- InChIKey
MEDLWKHRMPOJOJ-PGUFJCEWSA-N- Molecular formula
- C36H70F2NO8P
- Average molar mass
- 713.9 g/mol
- Monoisotopic mass
- 713.48071151
Names & identifiers
- Preferred name
- 1-(Myristoyl)-2-(7,7-difluoromyristoyl)glycero-3-phosphocholine
- IUPAC
- [(3R)-3-(7,7-difluorotetradecanoyloxy)-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-(Myristoyl)-2-(7,7-difluoromyristoyl)glycero-3-phosphocholine
- Molecular formula
- C36H70F2NO8P
- Molecular weight
- 713.9134674
Names & synonyms
128022-95-72-(7,7-F2)Dmpc-d521-(Myristoyl)-2-(7,7-difluoromyristoyl)glycero-3-phosphocholineDTXSID90155775RefChem:74725DTXCID3078266[(3R)-3-(7,7-Difluorotetradecanoyloxy)-3-Tetradecanoyloxypropyl] 2-Trimethylazaniumylethyl Phosphate[(3R)-3-(7,7-difluorotetradecanoyloxy)-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate(3R)-3-[(7,7-Difluorotetradecanoyl)oxy]-3-(tetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate3,5,9-Trioxa-4-phosphatricosan-1-aminium, 8-((7,7-difluoro-1-oxotetradecyl)oxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, hydroxide, inner salt, 4-oxide, (R)-
Database identifiers
- CAS
128022-95-7- PubChem CID
- 3083085
- DTXSID
DTXSID90155775
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 36
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 848
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