GRADE & PURITY ≥98%

Synonyms

DTXSID5066794 | 279BV3A4FK | FT-0704918 | SRKUMCYSWLWLLS-UHFFFAOYSA-N | BEHENYLSTEARATE | docosanyl octadecanoate | J-014697 | Behenyl stearate, >=99% | AKOS024390933 | Octadecanoic acid, docosyl ester | Q27254189 | HY-W127417 | UNII-279BV3A4FK | Behenyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DTXSID5066794 | 279BV3A4FK | FT-0704918 | SRKUMCYSWLWLLS-UHFFFAOYSA-N | BEHENYLSTEARATE | docosanyl octadecanoate | J-014697 | Behenyl stearate, >=99% | AKOS024390933 | Octadecanoic acid, docosyl ester | Q27254189 | HY-W127417 | UNII-279BV3A4FK | Behenyl

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: 488190797
• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
• IUPAC Name: docosyl octadecanoate
• InChIKey: SRKUMCYSWLWLLS-UHFFFAOYSA-N
• INCHI: 1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
• Peso molecular: 593.06
• Reaxy-Rn: 1808889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1808889&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters
        • Level5 Wax esters
          • Level6 Wax monoesters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Wax esters
• Direct Parent: Wax monoesters
• Alternative Parents: Fatty alcohol esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Wax monoester skeleton - Fatty alcohol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 wax monoesters. These are waxes bearing an ester group at exactly one position.
• External Descriptors: a wax ester

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

• Peso molecular: 593.100 g/mol
• XLogP3: 19.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 38
• Exact Mass: 592.616 Da
• Monoisotopic Mass: 592.616 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 488.000
• 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