Cerebroside C , CAS No.98677-33-9

CAS: 98677-33-9 Cat. No.: C935295 Formule: C₄₃H₇₉NO₉ Poids moléculaire: 754.100

Storage

Room temperature

Spécifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

CCCCCCCCCCCCCC/C=C/[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\C)/CCCCCCCCC)O)O

IUPAC Name

(E,2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]octadec-3-enamide

InChIKey

QSPMXWIFLDIBGD-DDSPGNMTSA-N

INCHI

1S/C43H79NO9/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-11-9-7-5-2/h26-27,29-31,35-41,43,45-50H,4-25,28,32-33H2,1-3H3,(H,44,51)/b30-27+,31-26+,34-29+/t35-,36+,37+,38+,39+,40-,41+,43+/m0/s1

Poids moléculaire

754.100

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Sphingolipids
      • Subclass Glycosphingolipids
        • Level5 Neutral glycosphingolipids
          • Level6 Simple glycosylceramides
            • Level7 Glycosyl-N-acylsphingosines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Sphingolipids
• Subclass: Glycosphingolipids
• Intermediate Tree Nodes: Neutral glycosphingolipids - Simple glycosylceramides
• Direct Parent: Glycosyl-N-acylsphingosines
• Alternative Parents: Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Hexoses O-glycosyl compounds N-acyl amines Oxanes Secondary alcohols Secondary carboxylic acid amides Polyols Acetals Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Glycosyl-n-acylsphingosine - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Monosaccharide - N-acyl-amine - Oxane - Fatty acyl - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. These are compounds containing a sphingosine linked to a simple glucosyl moiety.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 754.100 g/mol
• XLogP3: 11.000
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 33
• Exact Mass: 753.575 Da
• Monoisotopic Mass: 753.575 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 973.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1

Foire aux questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98677-33-9, the molecular formula is C43H79NO9, and the molecular weight is 754.100 g/mol. InChIKey QSPMXWIFLDIBGD-DDSPGNMTSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.