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Enantio-PAF C-16

CAT: 0926-FH111139-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FH111139-01Size:1 mg
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CAS Number
117985-57-6
MDL Number
MFCD00070355
Smiles
CCCCCCCCCCCCCCCCOCC (COP (=O) ([O-]) OCC[N+] (C) (C) C) OC (=O) C
Molecular Formula
C26H54NO7P
Molecular Weight
523.68 g/mol
Controlled
No

Chemical Information

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide

Enantio-PAF C-16 is an alkylacylglycero-3-phosphocholine.

CAS Number117985-57-6
PubChem CID2499
IUPAC Name(2-acetyloxy-3-hexadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC26H54NO7P
Molecular Weight523.7
XLogP6.5
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count26
Heavy Atom Count35
Formal Charge0
Complexity546
SMILES
CCCCCCCCCCCCCCCCOCC(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
InChIKey
HVAUUPRFYPCOCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
CAS: 117985-57-6
CID: 2499
Formula: C26H54NO7P
MW: 523.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.7
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count26
Exact Mass523.36379006
Monoisotopic Mass523.36379006
Topological Polar Surface Area94.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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