2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine
Basic information
- CAS
89314-81-8- Standard SMILES
CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O- InChIKey
DZOMRYLZWBYFLF-UHFFFAOYSA-N- Molecular formula
- C28H58NO6PS
- Average molar mass
- 567.8 g/mol
- Monoisotopic mass
- 567.37224674
Overview
aggregates human platelets irreversibly
Names & identifiers
- Preferred name
- 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine
- IUPAC
- (2-acetyloxy-3-octadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 2-Acetyl-S-octadecyl-1-thioglycero-3-phosphocholine
- Molecular formula
- C28H58NO6PS
- Molecular weight
- 567.801981
Names & synonyms
Thio-platelet activating factorThio-paf89314-81-82-Acetyl-S-octadecyl-1-thioglycero-3-phosphocholine3,5-Dioxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (+-)-RefChem:84988(2-acetyloxy-3-octadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphateCHEMBL167559SCHEMBL29549073DTXSID1010087472-(Acetyloxy)-3-(octadecylsulfanyl)propyl 2-(trimethylazaniumyl)ethyl phosphatato(3-)2-(Acetyloxy)-3-(octadecylsulfanyl)propyl 2-(trimethylazaniumyl)ethyl phosphate
Database identifiers
- CAS
89314-81-8- PubChem CID
- 146017
- DTXSID
DTXSID101008747- ChEMBL
CHEMBL167559
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 28
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 579
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Compound notes
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