1,3-Dipalmitoyl-glycero-2-phosphoethanolamine , CAS No.67303-93-9

CAS: 67303-93-9 Cat. No.: D1031335 PubChem CID: 24802117

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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.

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OP(=O)(O)OCCN
• IUPAC Name: [2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropyl] hexadecanoate
• InChIKey: OQEIOUBBMBZINL-UHFFFAOYSA-N
• INCHI: 1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(46-47(41,42)45-32-31-38)34-44-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)
• Isómeros SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OP(=O)(O)OCCN
• CAS alternativo: 67303-93-9
• PubChem CID: 24802117

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerophospholipids
      • Subclass Glycerophosphates
        • Level5 Diacylglycerophosphates
          • Level6 1,3-diacylglycerol-2-phosphates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerophospholipids
• Subclass: Glycerophosphates
• Intermediate Tree Nodes: Diacylglycerophosphates
• Direct Parent: 1,3-diacylglycerol-2-phosphates
• Alternative Parents: Phosphoethanolamines Fatty acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Carboxylic acid esters Amino acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-diacylglycerol-2-phosphate - Phosphoethanolamine - Dialkyl phosphate - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-diacylglycerol-2-phosphates. These are glycerol-2-phosphates in which the glycerol moiety is bonded to two aliphatic chains through ester linkages.
• 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: 692.000 g/mol
• XLogP3: 10.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 39
• Exact Mass: 691.515 Da
• Monoisotopic Mass: 691.515 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 708.000
• 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