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Lyso-PAF C-16

CAT: 0024-sc-201011Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-201011Size:5 mg
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CAS Number
52691-62-0

Chemical Information

1-O-Hexadecyl-sn-glycero-3-phosphocholine

Lysophosphatidylcholine O-16:0/0:0 is a lysophosphatidylcholine O-16:0e in which the hexadecyl group at C-1 contains 16 carbons of which none are unsaturated. It has a role as a metabolite. It is a 1-alkyl-sn-glycero-3-phosphocholine and a lysophosphatidylcholine O-16:0.

CAS Number52691-62-0
PubChem CID162126
IUPAC Name[(2R)-3-hexadecoxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC24H52NO6P
Molecular Weight481.6
XLogP5.9
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count24
Heavy Atom Count32
Formal Charge0
Complexity450
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/t24-/m1/s1
InChIKey
VLBPIWYTPAXCFJ-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of 1-O-Hexadecyl-sn-glycero-3-phosphocholine
CAS: 52691-62-0
CID: 162126
Formula: C24H52NO6P
MW: 481.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count24
Exact Mass481.35322538
Monoisotopic Mass481.35322538
Topological Polar Surface Area88.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity450
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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CatalogName
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