C22 Ceramide - ≥95% , CAS No.869501-30-4

CAS: 869501-30-4 Cat. No.: C342160 Fórmula: C₄₀H₇₉NO₃ Peso molecular: 622.06

GRADE & PURITY ≥95%

Synonyms

C22 Ceramide (d18:1/22:0), N-behenoyl-D-erythro-sphingosine, powder | Ceramide d40:1 | N-(docosanoyl) sphingosine | N-[1.3-dihydroxyoctadec-4-en-2-yl]docosanamide | N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide | C22 Ceramide (d18:1/22:0) | Ce

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

C22 Ceramide (d18:1/22:0), N-behenoyl-D-erythro-sphingosine, powder | Ceramide d40:1 | N-(docosanoyl) sphingosine | N-[1.3-dihydroxyoctadec-4-en-2-yl]docosanamide | N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide | C22 Ceramide (d18:1/22:0) | Ce

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 508810374
• Sorrisos canónicos: CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
• IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide
• InChIKey: KEPQASGDXIEOIL-GLQCRSEXSA-N
• INCHI: 1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
• SMILES isoméricas: CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
• Peso molecular: 622.06
• Reaxy-Rn: 54814198
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54814198&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Sphingolipids
      • Subclass Ceramides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Sphingolipids
• Subclass: Ceramides
• Intermediate Tree Nodes: Not available
• Direct Parent: Ceramides
• Alternative Parents: N-acyl amines Secondary carboxylic acid amides Secondary alcohols Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ceramide - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid.
• External Descriptors: N-acylsphingosines (ceramides)

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

Propriedades químicas e físicas

• Ponto de fusão (°C): 97-99° C
• Peso molecular: 622.100 g/mol
• XLogP3: 16.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 36
• Exact Mass: 621.606 Da
• Monoisotopic Mass: 621.606 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 593.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1