Potassium N-sulfoglucosamine - ≥95% , CAS No.31284-96-5

CAS: 31284-96-5 Cat. No.: P1055094 Molecular Weight: 297.33 EC Number: 608-599-6 PubChem CID: 71306939

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C(C(C(C(C=O)NS(=O)(=O)[O-])O)O)O)O.[K+]
• IUPAC Name: potassium;N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamate
• InChIKey: MFGZKIDFMGPIEM-BTVCFUMJSA-M
• INCHI: 1S/C6H13NO8S.K/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9;/h1,3-7,9-12H,2H2,(H,13,14,15);/q;+1/p-1/t3-,4+,5+,6+;/m0./s1
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C=O)NS(=O)(=O)[O-])O)O)O)O.[K+]
• PubChem CID: 71306939
• Molecular Weight: 297.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminosaccharides
• Alternative Parents: Sulfuric acid monoamides Monosaccharides Beta-hydroxy aldehydes Secondary alcohols Polyols Primary alcohols Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino saccharide - Beta-hydroxy aldehyde - Monosaccharide - Sulfuric acid monoamide - Organic sulfuric acid or derivatives - Secondary alcohol - Organic alkali metal salt - Polyol - Alcohol - Aldehyde - Primary alcohol - Organic salt - Organonitrogen compound - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as aminosaccharides. These are saccharides containing a sugar unit that bears an amino group.
• 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: 297.330 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 296.992 Da
• Monoisotopic Mass: 296.992 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 316.000
• 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: 2

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