1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine , CAS No.22252-07-9

CAS: 22252-07-9 Cat. No.: Z1316015 Peso molecular: 519.7

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

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.

Nombres e identificadores

• Sonrisas canónicas: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
• IUPAC Name: [(2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• InChIKey: SPJFYYJXNPEZDW-FTJOPAKQSA-N
• INCHI: 1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1
• Peso molecular: 519.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerophospholipids
      • Subclass Glycerophosphocholines
        • Level5 Lysophosphatidylcholines
          • Level6 1-acyl-sn-glycero-3-phosphocholines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerophospholipids
• Subclass: Glycerophosphocholines
• Intermediate Tree Nodes: Lysophosphatidylcholines
• Direct Parent: 1-acyl-sn-glycero-3-phosphocholines
• Alternative Parents: Phosphocholines Fatty acid esters Dialkyl phosphates Tetraalkylammonium salts Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1-acyl-sn-glycero-3-phosphocholine - Phosphocholine - Fatty acid ester - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Tetraalkylammonium salt - Quaternary ammonium salt - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic salt - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-acyl-sn-glycero-3-phosphocholines. These are glycerophosphocholines in which the glycerol is esterified with a fatty acid at O-1 position, and linked at position 3 to a phosphocholine.
• External Descriptors: Monoacylglycerophosphocholines

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: 519.700 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 24
• Exact Mass: 519.332 Da
• Monoisotopic Mass: 519.332 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 623.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1