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2-Thio-PAF

CAT: 0013-GTR19202834-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202834-03Size:25 mg
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Description
2-Thio-PAF
CAS Number
96801-55-7
Field of Research
Metabolism Research; Epigenetics & Chromatin
Smiles
[C@H] (COP (OCC[N+] (C) (C) C) (=O) [O-]) (COCCCCCCCCCCCCCCCC) SC (C) =O
Molecular Formula
C26H54NO6PS
Molecular Weight
539.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Thio-PAF

1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholine is a member of phosphocholines.

CAS Number96801-55-7
PubChem CID10347222
IUPAC Name[(2R)-2-acetylsulfanyl-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC26H54NO6PS
Molecular Weight539.8
XLogP7.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count26
Heavy Atom Count35
Formal Charge0
Complexity550
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)C
InChI
InChI=1S/C26H54NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(35-25(2)28)24-33-34(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
InChIKey
YPPZOKNKENLFTE-AREMUKBSSA-N
Chemical Structure
2D Structure
2D structure of 2-Thio-PAF
CAS: 96801-55-7
CID: 10347222
Formula: C26H54NO6PS
MW: 539.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.8
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count26
Exact Mass539.34094661
Monoisotopic Mass539.34094661
Topological Polar Surface Area110 Ų
Heavy Atom Count35
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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