(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanamide - ≥95% , CAS No.94281

CAS: 94281 Cat. No.: S1328349 Molecular Weight: 193.15 EC Number: 223-260-9

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)N)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanamide
• InChIKey: JRIOKBXQMHEJOZ-QTBDOELSSA-N
• INCHI: 1S/C6H11NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,(H2,7,13)/t2-,3+,4-,5-/m0/s1
• Molecular Weight: 193.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Fatty amides Beta-hydroxy aldehydes Alpha-hydroxyaldehydes Secondary alcohols Primary carboxylic acid amides Polyols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - Fatty acyl - Fatty amide - Beta-hydroxy aldehyde - Alpha-hydroxyaldehyde - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Aldehyde - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• 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

Chemical and Physical Properties

• Molecular Weight: 193.150 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 193.059 Da
• Monoisotopic Mass: 193.059 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 196.000
• 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