C20 Dihydroceramide - ≥95% , CAS No.121459-06-1

CAS: 121459-06-1 Cat. No.: C349722 Formule: C₃₈H₇₇NO₃ Poids moléculaire: 596.02

GRADE & PURITY ≥95%

Synonyms

Cer(d18:0/20:0) | N-Eicosanoylsphinganine | BP-28820 | N-icosanoyldihydroceramide | LMSP02020009 | SCHEMBL1479770 | DHC-A 18:0/20:0 | N-icosanoyldihydrosphingosine | N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]eicosanamide | Cer(38:00) | Q27135585 | C20 Dihydr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Cer(d18:0/20:0) | N-Eicosanoylsphinganine | BP-28820 | N-icosanoyldihydroceramide | LMSP02020009 | SCHEMBL1479770 | DHC-A 18:0/20:0 | N-icosanoyldihydrosphingosine | N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]eicosanamide | Cer(38:00) | Q27135585 | C20 Dihydr

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488195276

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195276

Sourires canoniques

CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCCCCCCCCCCCCC)O

IUPAC Name

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosanamide

InChIKey

ZWAUSWHRQBSECP-PQQNNWGCSA-N

INCHI

1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1

Isomères SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O

Poids moléculaire

596.02

Reaxy-Rn

18409911

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18409911&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-acylsphinganines (dihydroceramides)

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

• Solubilité: Soluble in Chloroform
• Point de fusion (°C): 99-103° C
• Poids moléculaire: 596.000 g/mol
• XLogP3: 15.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 35
• Exact Mass: 595.59 Da
• Monoisotopic Mass: 595.59 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 526.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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