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Methylcarbamol,cPAF ,mcPAF(C16),mcPlatelet activating factor,H4648_SIG

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摘 要:Methylcarbamol,cPAF ,mcPAF(C16),mcPlatelet activating factor,H4648_SIGMA,NCGC00161384-01,NCGC00161384-02,1-O-Hexadecyl-2-N-methylcarbamol -sn-glycerol-3-phosphocholine ,1-O-Palmitol-2-(N-methylcarbamyl)-sn-glycero-3-phosphocholine,4,7,9-Trioxo-2-aza-
[Synonyms]
Methylcarbamol
cPAF
mcPAF(C16)
mcPlatelet activating factor
H4648_SIGMA
NCGC00161384-01
NCGC00161384-02
1-O-Hexadecyl-2-N-methylcarbamol -sn-glycerol-3-phosphocholine
1-O-Palmitol-2-(N-methylcarbamyl)-sn-glycero-3-phosphocholine
4,7,9-Trioxo-2-aza-8-phosphaundecan-11-aminium, 5-((hexadecyloxy)methyl)-8-hydroxy-N,N,N-trimethyl-3-oxo-, hydroxide, inner salt, 8-oxide, (R)-

[Structure]
Methylcarbamol,cPAF ,mcPAF(C16),mcPlatelet activating factor,H4648_SIG

[ Properties Computed from Structure]
Molecular Weight538.697861 [g/mol]
Molecular FormulaC26H55N2O7P
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count26
Tautomer Count2
Exact Mass538.374689
MonoIsotopic Mass538.374689
Topological Polar Surface Area106
Heavy Atom Count36
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl]
2-trimethylazaniumylethyl phosphate
Canonical SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NC
Isomeric SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NC
InChI: InChI=1/C26H55N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23-25
(35-26(29)27-2)24-34-36(30,31)33-22-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,
27,29,30,31)/t25-/m1/s1/f/h27H

 
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