1,3-Dilinoleoyl-rac-glycerol - ≥98% , CAS No.15818-46-9

CAS: 15818-46-9 Cat. No.: D334420 Peso molecular: 616.95

GRADE & PURITY ≥98%

Synonyms

B07YB21KXB | DTXSID701317257 | J-009479 | 2-Hydroxypropane-1,3-diyl (9Z,9'Z,12Z,12'Z)-bis(octadeca-9,12-dienoate) | CHEBI:75850 | 1,3-Dilinolein | SCHEMBL2732836 | 1,3-Di-([cis,cis]-9,12-octadecadienoyl)-rac-glycerol, 1,3-Dilinolein | 1,3-Glyceryl Dilinol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

B07YB21KXB | DTXSID701317257 | J-009479 | 2-Hydroxypropane-1, 3-diyl (9Z, 9'Z, 12Z, 12'Z)-bis(octadeca-9, 12-dienoate) | CHEBI:75850 | 1, 3-Dilinolein | SCHEMBL2732836 | 1, 3-Di-([cis, cis]-9, 12-octadecadienoyl)-rac-glycerol, 1, 3-Dilinolein | 1, 3-Glyceryl Dilinol

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

• Sonrisas canónicas: CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)O
• IUPAC Name: [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
• InChIKey: LYPGMYIQHDZFFD-MAZCIEHSSA-N
• INCHI: 1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
• Isómeros SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
• WGK Alemania: 3
• Peso molecular: 616.95
• Reaxy-Rn: 11423290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11423290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• Alternative Parents: 1,3-diacylglycerols Fatty acid esters Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Octadecanoid - 1,3-acyl-sn-glycerol - Diacylglycerol - Diradylglycerol - Fatty acid ester - Glycerolipid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.
• External Descriptors: 1,3-diglyceride

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: Soluble in dichloromethane, ethyl acetate, and methanol.
• Índice de refracción: n20D1.49 ± 0.02
• Peso molecular: 617.000 g/mol
• XLogP3: 13.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 34
• Exact Mass: 616.507 Da
• Monoisotopic Mass: 616.507 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 690.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1