Glyceryl tridodecanoate - ≥98% , CAS No.538-24-9

CAS: 538-24-9 Cat. No.: G107438 Peso molecular: 639 Beilstein Registry Number: 1730452 Número EC: 208-687-0

GRADE & PURITY ≥98%

Synonyms

UNII-7FP2Z3RVUV | 1,2,3-Propanetriol tridodecanoate | TAG 36:0 | Dodecanoic acid, tri-ester with glycerol | NSC 4061 | 7FP2Z3RVUV | DTXSID80904390 | Trilaurin, European Pharmacopoeia (EP) Reference Standard | GLYCERIN TRIDODECANOATE | 1,2,3-tridodecanoyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

UNII-7FP2Z3RVUV | 1, 2, 3-Propanetriol tridodecanoate | TAG 36:0 | Dodecanoic acid, tri-ester with glycerol | NSC 4061 | 7FP2Z3RVUV | DTXSID80904390 | Trilaurin, European Pharmacopoeia (EP) Reference Standard | GLYCERIN TRIDODECANOATE | 1, 2, 3-tridodecanoyl-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752013
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752013
• Sonrisas canónicas: CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
• IUPAC Name: 2,3-di(dodecanoyloxy)propyl dodecanoate
• InChIKey: VMPHSYLJUKZBJJ-UHFFFAOYSA-N
• INCHI: 1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
• Isómeros SMILES: CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
• Peso molecular: 639
• Beilstein: 1730452
• Reaxy-Rn: 1730452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730452&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Triacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
• External Descriptors: Triacylglycerols

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

Propiedades químicas y físicas

• Punto de fusión (°C): 45-47°C
• Peso molecular: 639.000 g/mol
• XLogP3: 15.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 38
• Exact Mass: 638.549 Da
• Monoisotopic Mass: 638.549 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 626.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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