Tribehenin - ≥90%(T) , CAS No.18641-57-1

CAS: 18641-57-1 Cat. No.: T161982 Formule: C₆₉H₁₃₄O₆ Poids moléculaire: 1059.83 Numéro CE: 242-471-7 PubChem CID: 62726

GRADE & PURITY ≥90%(T)

Synonyms

1,2,3-tridocosanoyl-sn-glycerol | 1-Docosanoyl-2-docosanoyl-3-docosanoyl-glycerol | BRN 1811476 | Tribehenin | 1,2,3-Tridocosanoyl Glycerol | HY-105544 | Glycerol Tridocosanoate | 1-Behenoyl-2-behenoyl-3-behenoyl-glycerol | Dub bg | D04350 | SCHEMBL212193

Storage

Room temperature

Shipped In

Normal

Application

228,229

Specifications

Synonymes

1,2,3-tridocosanoyl-sn-glycerol | 1-Docosanoyl-2-docosanoyl-3-docosanoyl-glycerol | BRN 1811476 | Tribehenin | 1,2,3-Tridocosanoyl Glycerol | HY-105544 | Glycerol Tridocosanoate | 1-Behenoyl-2-behenoyl-3-behenoyl-glycerol | Dub bg | D04350 | SCHEMBL212193

Spécifications et pureté

≥90%(T)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥90%(T)

Noms et identifiants

• Pubchem Sid: 488183607
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183607
• Sourires canoniques: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: 2,3-di(docosanoyloxy)propyl docosanoate
• InChIKey: DMBUODUULYCPAK-UHFFFAOYSA-N
• INCHI: 1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3
• Isomères SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
• RTECS: JR1305000
• PubChem CID: 62726
• Poids moléculaire: 1059.83
• Reaxy-Rn: 1811476

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 83 °C
• Poids moléculaire: 1059.800 g/mol
• XLogP3: 31.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 68
• Exact Mass: 1059.02 Da
• Monoisotopic Mass: 1059.02 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 75
• Formal Charge: 0
• Complexity: 1070.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 18641-57-1, the molecular formula is C69H134O6, and the molecular weight is 1059.83 g/mol. InChIKey DMBUODUULYCPAK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.