59491-62-2,MFCD00674332
Catalog No.:AA00EI5X

59491-62-2 | 1-[CIS-9-OCTADECENOYL]-2-HEXADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥95%
in stock  
$53.00   $37.00
- +
10mg
≥95%
in stock  
$93.00   $65.00
- +
25mg
≥95%
in stock  
$166.00   $116.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EI5X
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
SMILES:
CCCCCCCCCCCCCCCC(=O)O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCC/C=C\CCCCCCCC
Properties
Computed Properties
 
Complexity:
899  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
41  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
13.6  

Literature

Title: Barotropic and thermotropic bilayer phase behavior of positional isomers of unsaturated mixed-chain phosphatidylcholines.

Journal: Biochimica et biophysica acta 20090501

Title: Bridging the gap between molecular descriptors and mechanism: cases studies by molecular dynamics simulations.

Journal: Journal of molecular graphics & modelling 20090401

Title: Relative activity of cholesterol in OPPC/cholesterol/sphingomyelin mixtures measured with an acoustic sensor.

Journal: The Analyst 20090301

Title: A new mechanism for ozonolysis of unsaturated organics on solids: phosphocholines on NaCl as a model for sea salt particles.

Journal: Physical chemistry chemical physics : PCCP 20080128

Title: Short-term tracking of atherosclerosis in operated and unoperated human carotid arteries by high resolution magnetic resonance imaging.

Journal: World journal of surgery 20070401

Title: ETC-588 (Pfizer).

Journal: Current opinion in investigational drugs (London, England : 2000) 20040901

Title: 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: Journal of medicinal chemistry 20021205

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SDS
Tags:59491-62-2 Molecular Formula|59491-62-2 MDL|59491-62-2 SMILES|59491-62-2 1-[CIS-9-OCTADECENOYL]-2-HEXADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Catalog No.: AA00EI5X
59491-62-2,MFCD00674332
59491-62-2 | 1-[CIS-9-OCTADECENOYL]-2-HEXADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Pack Size: 5mg
Purity: ≥95%
in stock
$53.00 $37.00
Pack Size: 10mg
Purity: ≥95%
in stock
$93.00 $65.00
Pack Size: 25mg
Purity: ≥95%
in stock
$166.00 $116.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EI5X
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
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCC/C=C\CCCCCCCC
Properties
Complexity: 899  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 52  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 41  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 13.6  
Literature fold

Title: Barotropic and thermotropic bilayer phase behavior of positional isomers of unsaturated mixed-chain phosphatidylcholines.

Journal: Biochimica et biophysica acta20090501

Title: Bridging the gap between molecular descriptors and mechanism: cases studies by molecular dynamics simulations.

Journal: Journal of molecular graphics & modelling20090401

Title: Relative activity of cholesterol in OPPC/cholesterol/sphingomyelin mixtures measured with an acoustic sensor.

Journal: The Analyst20090301

Title: A new mechanism for ozonolysis of unsaturated organics on solids: phosphocholines on NaCl as a model for sea salt particles.

Journal: Physical chemistry chemical physics : PCCP20080128

Title: Short-term tracking of atherosclerosis in operated and unoperated human carotid arteries by high resolution magnetic resonance imaging.

Journal: World journal of surgery20070401

Title: ETC-588 (Pfizer).

Journal: Current opinion in investigational drugs (London, England : 2000)20040901

Title: 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: Journal of medicinal chemistry20021205

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