C4 Dihydroceramide - ≥95% , CAS No.202467-76-3

CAS: 202467-76-3 Cat. No.: C350509 Summenformel: C₂₂H₄₅NO₃ Molekulargewicht: 371.6 PubChem CID: 45038598

GRADE & PURITY ≥95%

Synonyms

BP-28807 | DTXSID90661861 | SCHEMBL6239732 | C4 Dihydroceramide | J-013146 | Butanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- | N-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]butanamide | N-((2S,3R)-1,3-Dihydroxyoctadecan-2-yl)butyramide | AKOS03024

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

C4 Dihydroceramide (cas# 202467-76-3) is a compound useful in organic synthesis.

Specifications

Synonyme

BP-28807 | DTXSID90661861 | SCHEMBL6239732 | C4 Dihydroceramide | J-013146 | Butanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- | N-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]butanamide | N-((2S,3R)-1,3-Dihydroxyoctadecan-2-yl)butyramide | AKOS03024

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504770508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770508
• Kanonisches Lächeln: CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCC)O
• IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]butanamide
• InChIKey: OQNWHOCKDMLTSP-LEWJYISDSA-N
• INCHI: 1S/C22H45NO3/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/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)/t20-,21+/m0/s1
• Isomere SMILES: CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCC)O
• PubChem CID: 45038598
• Molekulargewicht: 371.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): 117-119˚C
• Molekulargewicht: 371.600 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 371.34 Da
• Monoisotopic Mass: 371.34 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 310.000
• 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