Basic information
- CAS
111057-91-1- Standard SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NC- InChIKey
FNFHZBKBDFRYHS-UHFFFAOYSA-N- Molecular formula
- C26H55N2O7P
- Average molar mass
- 538.7 g/mol
- Monoisotopic mass
- 538.3746891
Overview
biologically active analog of PAF; structure given in first source
Names & identifiers
- Preferred name
- 1-O-hexadecyl-2-N-methylcarbamylphosphatidylcholine
- IUPAC
- [3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-O-hexadecyl-2-N-methylcarbamylphosphatidylcholine
- Molecular formula
- C26H55N2O7P
- Molecular weight
- 538.697861
Names & synonyms
N-Carbamyl-pafMethylcarbamyl-paf1-Hmc-gpc111057-91-1Carbamyl-platelet-activating factor1-O-Hexadecyl-2-N-methylcarbamylphosphatidylcholine1-O-Hexadecyl-2-N-methylcarbamyl-glycerophosphocholineRefChem:76708[3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate3-(Hexadecyloxy)-2-((methylcarbamoyl)oxy)propyl (2-(trimethylammonio)ethyl) phosphate86355-00-2DTXSID10911971
Show more names
SCHEMBL272047964,7,9-Trioxa-2-aza-8-phosphaundecan-11-aminium, 5-((hexadecyloxy)methyl)-8-hydroxy-N,N,N-trimethyl-3-oxo-, hydroxide, inner salt, 8-oxide, (+-)-DB-0572633-(Hexadecyloxy)-2-[hydroxy(methylimino)methoxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Database identifiers
- CAS
111057-91-1- PubChem CID
- 2495
- DTXSID
DTXSID10911971
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 26
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 565
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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