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C22 Ceramide - 95%, high purity , CAS No.869501-30-4
Basic Description
Synonyms
C22 Ceramide (d18:1/22:0), N-behenoyl-D-erythro-sphingosine, powder | Ceramide d40:1 | N-(docosanoyl) sphingosine | N-[1.3-dihydroxyoctadec-4-en-2-yl]docosanamide | N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide | C22 Ceramide (d18:1/22:0) | Ce
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Sphingolipids
Subclass
Ceramides
Intermediate Tree Nodes
Not available
Direct Parent
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
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 ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a 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.
Names and Identifiers
IUPAC Name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide
INCHI
InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
InChIKey
KEPQASGDXIEOIL-GLQCRSEXSA-N
Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
Isomeric SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
Molecular Weight
622.06
Reaxy-Rn
54814198
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54814198&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
97-99° C
Molecular Weight
622.100 g/mol
XLogP3
16.100
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
36
Exact Mass
621.606 Da
Monoisotopic Mass
621.606 Da
Topological Polar Surface Area
69.600 Ų
Heavy Atom Count
44
Formal Charge
0
Complexity
593.000
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
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I2220247