Glyceryl triheptadecanoate - ≥99% , CAS No.2438-40-6

CAS: 2438-40-6 Cat. No.: G353641 Fórmula: C₅₄H₁₀₄O₆ Peso molecular: 849.4

GRADE & PURITY ≥99%

Synonyms

PD018368 | 1,2,3-Propanetriyl triheptadecanoate | Triheptadecanoin | Palmitic acid triglyderide | Trimargarin | 1,3-BIS(HEPTADECANOYLOXY)PROPAN-2-YL HEPTADECANOATE | Glyceryl triheptadecanoate, >=99% | 2,3-di(heptadecanoyloxy)propyl heptadecanoate | Hepta

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Descripción general

Glyceryl triheptadecanoate is a triacyl glycerol compound. At the sn-1, sn-2, and sn-3 positions of the Glyceryl triheptadecanoate molecular structure, there is a heptadecanoic acid group.

Specifications

Sinónimos

PD018368 | 1,2,3-Propanetriyl triheptadecanoate | Triheptadecanoin | Palmitic acid triglyderide | Trimargarin | 1,3-BIS(HEPTADECANOYLOXY)PROPAN-2-YL HEPTADECANOATE | Glyceryl triheptadecanoate, >=99% | 2,3-di(heptadecanoyloxy)propyl heptadecanoate | Hepta

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

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

≥99%

Nombres e identificadores

Pubchem Sid

504762644

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762644

Sonrisas canónicas

CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC

IUPAC Name

2,3-di(heptadecanoyloxy)propyl heptadecanoate

InChIKey

FBFWDBGUSMGXPI-UHFFFAOYSA-N

INCHI

1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3

Isómeros SMILES

CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC

WGK Alemania

3

Peso molecular

849.4

Reaxy-Rn

1811256

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1811256&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

• Solubilidad: 100 mg/ml in chloroform
• Punto de fusión (°C): 64° C
• Peso molecular: 849.400 g/mol
• XLogP3: 23.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 53
• Exact Mass: 848.783 Da
• Monoisotopic Mass: 848.783 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 841.000
• 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