2-O-methyl-PAF C-18   Click here for help

GtoPdb Ligand ID: 1830

Synonyms: 2-O-methyl-platelet-activating factor C-18 | 2-methyl-C18-PAF | 2-methyloctadecyl PAF
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 28
Topological polar surface area 103.93
Molecular weight 565.41
XLogP 7.94
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])C
Isomeric SMILES CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])C
InChI InChI=1S/C29H60NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(2)24-34-25-29(37-28(3)31)26-36-38(32,33)35-23-22-30(4,5)6/h27,29H,7-26H2,1-6H3
InChI Key CIVAIADZNGBFHP-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
[2-acetyloxy-3-(2-methyloctadecoxy)propyl] 2-trimethylazaniumylethyl phosphate
Synonyms Click here for help
2-O-methyl-platelet-activating factor C-18 | 2-methyl-C18-PAF | 2-methyloctadecyl PAF
Database Links Click here for help
CAS Registry No. 138852-22-9 (source: Scifinder)
GtoPdb PubChem SID 135651398
PubChem CID 132181
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