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

CAS: 202467-76-3 Cat. No.: C350509 分子式: C₂₂H₄₅NO₃ 分子量: 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

概要

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

Specifications

同義語

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

仕様と純度

≥95%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

504770508

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504770508

カノニカル・スマイル

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

異性体SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCC)O

PubChem CID

45038598

分子量

371.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Chloroform (Slightly), Methanol (Slightly)
• 感度: Moisture sensitive.
• 融点（°C）: 117-119˚C
• 分子量: 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