(2R,3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl hydrogen sulfate - ≥95% , CAS No.18634851

CAS: 18634851 Cat. No.: R1027935 Peso molecular: 259.240

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)OS(=O)(=O)O
• IUPAC Name: [(2R,3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] hydrogen sulfate
• InChIKey: KRCSEEITTBNSQS-SLPGGIOYSA-N
• INCHI: 1S/C6H13NO8S/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2,7H2,(H,12,13,14)/t3-,4+,5+,6+/m0/s1
• Peso molecular: 259.240

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Monosaccharide sulfates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Monosaccharide sulfates
• Alternative Parents: Aminosaccharides Sulfuric acid monoesters Beta-hydroxy aldehydes Alkyl sulfates 1,3-aminoalcohols Secondary alcohols Polyols Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monosaccharide sulfate - Amino saccharide - Beta-hydroxy aldehyde - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - 1,3-aminoalcohol - Secondary alcohol - Polyol - Aldehyde - Alcohol - Primary amine - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monosaccharide sulfates. These are monosaccharides that contain a sulfate group linked to the sugar 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

Propiedades químicas y físicas

• Peso molecular: 259.240 g/mol
• XLogP3: -6.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 259.036 Da
• Monoisotopic Mass: 259.036 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 311.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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