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Platelet-activating factor

Athanor · official

C26H54NO7P · 523.7 g/mol

IUPAC name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Also called PAF, PAF-16, 1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine, AGEPC

Lipids
Open in Athanor
The structure of Platelet-activating factor
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Synonyms
PAF, PAF-16, 1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine
+ 38 more

AGEPC, Platelet activating factor, C16-PAF, PAF acether, 1-O-Hexadecyl-platelet-activating factor, Platelet-activating factor C16, 1-O-Hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine, 1-Hexadecyl-2-acetyl-glycero-3-phosphocholine, PAF 16, C16:0 PAF, 1-O-Hexadecyl-2-O-acetyl-sn-glycero-3-phosophocholine, 42EWD89I80, 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (R)-, CHEBI:36707, DTXSID00225377, HAGPC, ((2R)-2-ACETYLOXY-3-HEXADECOXYPROPYL) 2-TRIMETHYLAZANIUMYLETHYL PHOSPHATE, PAF-16 cpd, Platelet Aggregating Factor, Factor, Platelet Activating, Aggregating Factor, Platelet, Platelet Activating Substance, Platelet-Activating Substance, Thrombocyte Aggregating Activity, [(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-trimethylazaniumylethyl phosphate, Platelet Aggregation Enhancing Factor, Acetyl Glyceryl Ether Phosphorylcholine, Phosphorylcholine, Acetyl Glyceryl Ether, 1-hexadecyl-2-acetyl-glycerophosphocholine, RefChem:863736, DTXSID1040900, DTXCID00147868, 1-O-Alkyl-2-acetyl-sn-glycero-3-phosphocholine, CHEBI:52450, PAF-Acether, PAF (C16), Hag-PC, APRL

Molecular formula
C26H54NO7P
Empirical formula
C26H54NO7P
Molecular weight
523.7 g/mol
Exact mass
523.36379
CAS number
74389-68-7
PubChem CID
108156
Canonical SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
Isomeric SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
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
InChIKey
HVAUUPRFYPCOCA-AREMUKBSSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
35
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.96
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
25 computed here · PubChem 26
TPSA (Ų)
94.1
Formal charge
0
XLogP3
6.5 PubChem
Complexity
546 PubChem
Stereocenters
1 defined, 1 undefinedCIP: C19: R · P26: undefined
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C59.63%
  • H10.39%
  • N2.67%
  • O21.39%
  • P5.91%

Isotope pattern

100%523.36429%524.3675.6%525.370526.372

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
5.62 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-4.98 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.8 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 523.69
  • log P ≤ 5 (Crippen): 5.62
  • H-bond donors ≤ 5: 0
  • H-bond acceptors ≤ 10: 7

Breaks 2 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: Alfa Chemistry, BOC Sciences, Angene Chemical.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  2. [2]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  4. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  5. ·Literature on PubChem

Data last updated 2026-10-14.