cis-11,14,17-Eicosatrienoic acid methyl ester - ≥98%, liquid , CAS No.55682-88-7

CAS: 55682-88-7 Cat. No.: C465090 Peso molecular: 320.51 Número EC: 680-550-1

GRADE & PURITY ≥98%, liquid

Synonyms

methylicosa-11,14,17-trienoate | 11,14,17-EICOSATRIENOIC ACID, METHYL ESTER | Methyl (11E,14E,17E)-11,14,17-icosatrienoate | methyl (11E,14E,17E)-icosa-11,14,17-trienoate | (11E,14E,17E)-methyl icosa-11,14,17-trienoate | methyl (11Z)-icosa-11,14,17-trieno

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

methylicosa-11, 14, 17-trienoate | 11, 14, 17-EICOSATRIENOIC ACID, METHYL ESTER | Methyl (11E, 14E, 17E)-11, 14, 17-icosatrienoate | methyl (11E, 14E, 17E)-icosa-11, 14, 17-trienoate | (11E, 14E, 17E)-methyl icosa-11, 14, 17-trienoate | methyl (11Z)-icosa-11, 14, 17-trieno

Especificaciones y pureza

≥98%, liquid

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

• Sonrisas canónicas: CCC=CCC=CCC=CCCCCCCCCCC(=O)OC
• IUPAC Name: methyl (11E,14E,17E)-icosa-11,14,17-trienoate
• InChIKey: XQAVRBUXEPJVRC-JSIPCRQOSA-N
• INCHI: 1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4+,8-7+,11-10+
• Isómeros SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCCCC(=O)OC
• WGK Alemania: 3
• Peso molecular: 320.51
• Reaxy-Rn: 18859983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18859983&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 methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl 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 fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

Propiedades químicas y físicas

• Peso molecular: 320.500 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 320.272 Da
• Monoisotopic Mass: 320.272 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1