C14Céramide - ≥97% , CAS No.34227-72-0

CAS: 34227-72-0 Cat. No.: C133662 Formule: C₃₂H₆₃NO₃

QUALITÉ & PURETÉ ≥97%

Synonyms

N-Myristoyl-D-sphingosine|(2S,3R,4E)-2-(Myristoylamino)-4-octadecene-1,3-diol N-Myristoyl-D-erythro-sphingosine N-Tetradecanoyl-D-sphingosine N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]tetradecanamide

Storage

Stocker à -20°C, chargé d'argon

Shipped In

Glacière + blocs de glace

Spécifications

Synonymes

N-Myristoyl-D-sphingosine | (2S,3R,4E)-2-(Myristoylamino)-4-octadecene-1,3-diol N-Myristoyl-D-erythro-sphingosine N-Tetradecanoyl-D-sphingosine N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]tetradecanamide

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Stocker à -20°C, chargé d'argon

Expédié en

Glacière + blocs de glace

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528763648

Sourires canoniques

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCCC)O

IUPAC Name

N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradecanamide

InChIKey

ZKRPGPZHULJLKJ-JHRQRACZSA-N

INCHI

1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1

Isomères SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O

Reaxy-Rn

32174025

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32174025&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: Long-chain 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: Long-chain 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
• Description: This compound belongs to the class of organic compounds known as long-chain ceramides. These are ceramides bearing a long chain 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

Propriétés chimiques et physiques

• Sensibilité: Air & Moisture sensitive
• Poids moléculaire: 509.800 g/mol
• XLogP3: 11.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 28
• Exact Mass: 509.481 Da
• Monoisotopic Mass: 509.481 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 480.000
• 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