sodium 2,3-bis(stearoyloxy)propyl (2,3-dihydroxypropyl) phosphate - Moligand™, ≥98% , CAS No.124011-52-5

CAS: 124011-52-5 Cat. No.: S292961 Molecular Weight: 801.06

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Biochem/physiol Actions:(Rac)-DSPG sodium ((Rac)-1,2-Distearoyl-sn-Glycero-3-Phosphatidylglycerol sodium) is a derivative of phosphatidylglycerol, which, as an amphiphilic molecule, is commonly used in the study of drug delivery and biofilm research.

Specifications

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
• IUPAC Name: sodium;2,3-dihydroxypropyl 2,3-di(octadecanoyloxy)propyl phosphate
• InChIKey: YNQYZBDRJZVSJE-UHFFFAOYSA-M
• INCHI: InChI=1S/C42H83O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h39-40,43-44H,3-38H2,1-2H3,(H,47,48);/q;+1/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
• Alternate CAS: 4537-78-4
• Molecular Weight: 801.06
• Reaxy-Rn: 11341916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11341916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerophospholipids
      • Subclass Glycerophosphoglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphoglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphatidylglycerols
• Alternative Parents: Fatty acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters 1,2-diols Primary alcohols Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-diacylglycerophosphoglycerol - Fatty acid ester - Dialkyl phosphate - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Carboxylic acid derivative - Organic alkali metal salt - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen compound - Organic salt - Organic sodium salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: heat sensitive
• Molecular Weight: 801.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 44
• Exact Mass: 800.554 Da
• Monoisotopic Mass: 800.554 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 865.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3