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Home Other Building Blocks 1-[CIS-9-OCTADECENOYL]-2-HEXADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

1-[CIS-9-OCTADECENOYL]-2-HEXADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

CAS No.:
59491-62-2
Catalog Number:
AG00EI8P
Molecular Formula:
C42H82NO8P
Molecular Weight:
760.0761
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥95%
1 week
United States
$91
- +
10mg
≥95%
1 week
United States
$123
- +
25mg
≥95%
1 week
United States
$187
- +
Product Description
Catalog Number:
AG00EI8P
Chemical Name:
1-[CIS-9-OCTADECENOYL]-2-HEXADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
CAS Number:
59491-62-2
Molecular Formula:
C42H82NO8P
Molecular Weight:
760.0761
MDL Number:
MFCD00674332
IUPAC Name:
[(2R)-2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChI Key:
RRVPPYNAZJRZFR-VYOBOKEXSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCC/C=C\CCCCCCCC
Properties
Complexity:
899  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
759.578g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
760.091g/mol
Monoisotopic Mass:
759.578g/mol
Rotatable Bond Count:
41  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.6  
Literature
Title Journal
Barotropic and thermotropic bilayer phase behavior of positional isomers of unsaturated mixed-chain phosphatidylcholines. Biochimica et biophysica acta 20090501
Bridging the gap between molecular descriptors and mechanism: cases studies by molecular dynamics simulations. Journal of molecular graphics & modelling 20090401
Relative activity of cholesterol in OPPC/cholesterol/sphingomyelin mixtures measured with an acoustic sensor. The Analyst 20090301
A new mechanism for ozonolysis of unsaturated organics on solids: phosphocholines on NaCl as a model for sea salt particles. Physical chemistry chemical physics : PCCP 20080128
Short-term tracking of atherosclerosis in operated and unoperated human carotid arteries by high resolution magnetic resonance imaging. World journal of surgery 20070401
ETC-588 (Pfizer). Current opinion in investigational drugs (London, England : 2000) 20040901
Perfluorooctyl bromide has limited membrane solubility and is located at the bilayer center. Locating small molecules in lipid bilayers through paramagnetic enhancements of NMR relaxation. Journal of medicinal chemistry 20021205
Properties