N-butyroyl-D-erythro-sphingosine - ≥98% , CAS No.74713-58-9

CAS: 74713-58-9 Cat. No.: N130614 Peso molecular: 369.58 PubChem CID: 5702612

GRADE & PURITY ≥98%

Synonyms

Ceramide as (ceramide 4) | BP-28806 | SF3LP91341 | Ceramide 4 (retired) [INCI] | N-Butyryl-D-sphingosine, >=98.0% (TLC) | C4 Ceramide (d18:1/4:0) | C4 Ceramide | DTXSID70420650 | Butanamide, N-(2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl)-, (R-(R*,S*-(E)))

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Ceramide as (ceramide 4) | BP-28806 | SF3LP91341 | Ceramide 4 (retired) [INCI] | N-Butyryl-D-sphingosine, >=98.0% (TLC) | C4 Ceramide (d18:1/4:0) | C4 Ceramide | DTXSID70420650 | Butanamide, N-(2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl)-, (R-(R*, S*-(E)))

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCC)O
• IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide
• InChIKey: UCBLGIBMIAFISC-CQLAPORSSA-N
• INCHI: 1S/C22H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h16,18,20-21,24-25H,3-15,17,19H2,1-2H3,(H,23,26)/b18-16+/t20-,21+/m0/s1
• Isómeros SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O
• PubChem CID: 5702612
• Peso molecular: 369.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Sphingolipids
• Subclass: Ceramides
• Intermediate Tree Nodes: Not available
• Direct Parent: Ceramides
• Alternative Parents: N-acyl amines Secondary carboxylic acid amides Secondary alcohols Primary alcohols 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 carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Primary alcohol - Aliphatic acyclic compound
• Descripción: 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: 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

• Sensibilidad: air sensitive；Moisture sensitive
• Punto de fusión (°C): 64 - 67 °C
• Peso molecular: 369.600 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 369.324 Da
• Monoisotopic Mass: 369.324 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 344.000
• 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