Dioctanoylglycol - ≥97% , CAS No.627-86-1

CAS: 627-86-1 Cat. No.: D288807 Peso molecular: 314.46

GRADE & PURITY ≥97%

Synonyms

NSC 97300 | BDBM50529934 | ethane-1,2-diyl dioctanoate | NCGC00162390-01 | Octanoic acid, 1,2-ethanediyl ester | ethylene dicaprylate | CALCIUMDIPROPYLACETATEHYDRATE | dioctanoylglycol | HTNFLUQQANUSLR-UHFFFAOYSA-N | 1,2-Dioctanoylethylene glycol | 2-octa

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

NSC 97300 | BDBM50529934 | ethane-1, 2-diyl dioctanoate | NCGC00162390-01 | Octanoic acid, 1, 2-ethanediyl ester | ethylene dicaprylate | CALCIUMDIPROPYLACETATEHYDRATE | dioctanoylglycol | HTNFLUQQANUSLR-UHFFFAOYSA-N | 1, 2-Dioctanoylethylene glycol | 2-octa

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Specific inhibitor of diacylglycerol kinase.

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.

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504750635
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750635
• Sonrisas canónicas: CCCCCCCC(=O)OCCOC(=O)CCCCCCC
• IUPAC Name: 2-octanoyloxyethyl octanoate
• InChIKey: HTNFLUQQANUSLR-UHFFFAOYSA-N
• INCHI: 1S/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3
• Isómeros SMILES: CCCCCCCC(=O)OCCOC(=O)CCCCCCC
• Peso molecular: 314.46
• Reaxy-Rn: 1798422
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1798422&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Objetivos asociados (no humanos)

Spodoptera litura (1708 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Helicoverpa armigera (708 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 31.44, Max Conc. mM: 100
• Peso molecular: 314.500 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 314.246 Da
• Monoisotopic Mass: 314.246 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 248.000
• 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