[3H]PAF   Click here for help

GtoPdb Ligand ID: 1833

Synonyms: [3H]platelet activating factor
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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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 26
Topological polar surface area 103.93
Molecular weight 523.36
XLogP 6.51
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]
Isomeric SMILES CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]
InChI InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
InChI Key HVAUUPRFYPCOCA-AREMUKBSSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-trimethylazaniumylethyl phosphate
Synonyms Click here for help
[3H]platelet activating factor
Database Links Click here for help
ChEMBL Ligand CHEMBL1235246
GtoPdb PubChem SID 135651567
PubChem CID 108156
RCSB PDB Ligand PFS
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Tocris
PAF (C16)
Cat. No. 2940