(±)-1,2-Didecanoylglycerol (10:0) - ≥98% , CAS No.82950-64-9

CAS: 82950-64-9 Cat. No.: D275176 Molecular Weight: 400.6

GRADE & PURITY ≥98%

Synonyms

1-(decanoyloxy)-3-hydroxypropan-2-yl decanoate | 1,2-Dicapryl-sn-glycerol | 1,2-didecanoyl-rac-glycerol | NCGC00161331-01 | Glycerol 1,2-didecanoate | HMS3402A11 | NCGC00161331-02 | (1-decanoyloxy-3-hydroxypropan-2-yl) decanoate | CHEBI:11152 | NCGC001613

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

1-(decanoyloxy)-3-hydroxypropan-2-yl decanoate | 1, 2-Dicapryl-sn-glycerol | 1, 2-didecanoyl-rac-glycerol | NCGC00161331-01 | Glycerol 1, 2-didecanoate | HMS3402A11 | NCGC00161331-02 | (1-decanoyloxy-3-hydroxypropan-2-yl) decanoate | CHEBI:11152 | NCGC001613

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Non-physiologic diacylglycerol (DAG). Cell-permeable protein kinase C activator in platelets. Enhances anterior pituitary hormone secretion in vitro .

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC
• IUPAC Name: (2-decanoyloxy-3-hydroxypropyl) decanoate
• InChIKey: GNSDEDOVXZDMKM-UHFFFAOYSA-N
• INCHI: 1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3
• Isomeric SMILES: CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC
• Molecular Weight: 400.6
• Reaxy-Rn: 1805171
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1805171&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: a small molecule

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 400.600 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 22
• Exact Mass: 400.319 Da
• Monoisotopic Mass: 400.319 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 370.000
• 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