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Hexanolamino PAF C-16

CAT: 0607-C5373-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C5373-5Size:5 mg
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Description
a PAF analog with mixed agonist/antagonist properties
CAS Number
137566-83-7
Product Name Alternative
1-O-hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphoryl(N,N,N-trimethyl)hexanolamine
Field of Research
GPCR G protein PAF Receptors
Purity
0.98
Form
A lyophilized powder
Solubility
≤23mg/ml in ethanol;0.5mg/ml in DMSO;1.5mg/ml in dimethyl formamide
Smiles
CCCCCCCCCCCCCCCCOC[C@@H](OC(C)=O)COP(OCCCCCC[N+](C)(C)C)([O-])=O
Molecular Formula
C30H62NO7P
Molecular Weight
579.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

1-O-Hexadecyl-2-acetyl-sn-glycero-3-phosphono(N,N,N-trimethyl)hexanolamine

1-o-hexadecyl-2-o-acetyl-sn-glyceryl-3-phosphoryl(n,n,n-trimethyl)hexanolamine is a glycerophospholipid.

CAS Number137566-83-7
PubChem CID132080
IUPAC Name[(2R)-2-acetyloxy-3-hexadecoxypropyl] 6-(trimethylazaniumyl)hexyl phosphate
Molecular FormulaC30H62NO7P
Molecular Weight579.8
XLogP7.9
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count30
Heavy Atom Count39
Formal Charge0
Complexity604
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCCCCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C30H62NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-35-27-30(38-29(2)32)28-37-39(33,34)36-26-23-20-18-21-24-31(3,4)5/h30H,6-28H2,1-5H3/t30-/m1/s1
InChIKey
IJAODKNFSHBTDQ-SSEXGKCCSA-N
Chemical Structure
2D Structure
2D structure of 1-O-Hexadecyl-2-acetyl-sn-glycero-3-phosphono(N,N,N-trimethyl)hexanolamine
CAS: 137566-83-7
CID: 132080
Formula: C30H62NO7P
MW: 579.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight579.8
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count30
Exact Mass579.42639031
Monoisotopic Mass579.42639031
Topological Polar Surface Area94.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity604
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