1,2-Dilaurin - Moligand™,≥98% , CAS No.17598-94-6

CAS: 17598-94-6 Cat. No.: D352768 Molecular Weight: 456.7

GRADE & PURITY Moligand™, ≥98%

Synonyms

1,2-dilauroylglycerol | D-alpha,beta-Dilaurin | Dodecanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester | EINECS 248-586-9 | GLYCEROL 1,2-DIDODECANOATE | 1,2-DILAUROYL-RAC-GLYCEROL | PD120074 | MFL3ZIE8SK | SCHEMBL2701820 | UNII-9S1016G3A2 | 2,3-Dilauroyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

1,2-Dilaurin is a diacylglycerol containing lauric acid at the sn-1 and sn-2 positions. It has been used as an internal standard for the quantification of diglycerides in rat desheathed sciatic nerves.Monomolecular films containing 1,2-dilauroyl-rac-glycerol have been used as substrates to measure surface pressure and the effect of pancreatic procolipase and colipase on porcine pancreatic lipase activity.

Specifications

Synonyms

1, 2-dilauroylglycerol | D-alpha, beta-Dilaurin | Dodecanoic acid, 1-(hydroxymethyl)-1, 2-ethanediyl ester | EINECS 248-586-9 | GLYCEROL 1, 2-DIDODECANOATE | 1, 2-DILAUROYL-RAC-GLYCEROL | PD120074 | MFL3ZIE8SK | SCHEMBL2701820 | UNII-9S1016G3A2 | 2, 3-Dilauroyl

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

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

• Pubchem Sid: 488183238
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183238
• Canonical Smiles: CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC
• IUPAC Name: (2-dodecanoyloxy-3-hydroxypropyl) dodecanoate
• InChIKey: OQQOAWVKVDAJOI-UHFFFAOYSA-N
• INCHI: 1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC
• Molecular Weight: 456.7
• Reaxy-Rn: 1807483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1807483&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerolipids
      • Subclass Diradylglycerols
        • Level5 Diacylglycerols
          • Level6 1,2-diacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerolipids
• Subclass: Diradylglycerols
• Intermediate Tree Nodes: Diacylglycerols
• Direct Parent: 1,2-diacylglycerols
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.
• 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: Moisture sensitive.
• Melt Point(°C): 53-56° C
• Molecular Weight: 456.700 g/mol
• XLogP3: 9.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 26
• Exact Mass: 456.381 Da
• Monoisotopic Mass: 456.381 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 424.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1