N-Methylglucosamine - ≥98% , CAS No.3329-30-4

CAS: 3329-30-4 Cat. No.: N1026493 PubChem CID: 151093

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CNC(C=O)C(C(C(CO)O)O)O
• IUPAC Name: (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(methylamino)hexanal
• InChIKey: LDDMACCNBZAMSG-BDVNFPICSA-N
• INCHI: 1S/C7H15NO5/c1-8-4(2-9)6(12)7(13)5(11)3-10/h2,4-8,10-13H,3H2,1H3/t4-,5+,6+,7+/m0/s1
• Isomeric SMILES: CN[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
• Alternate CAS: 3329-30-4
• PubChem CID: 151093
• MeSH Entry Terms: N-methyl glucosamine chlorine e6 salt;N-methylglucosamine;N-methylglucosamine, (L)-isomer;photodithazine

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: Monosaccharides Beta-hydroxy aldehydes 1,3-aminoalcohols Secondary alcohols Polyols Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino saccharide - Beta-hydroxy aldehyde - Monosaccharide - 1,3-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Polyol - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Aldehyde - Alcohol - 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: 193.200 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 193.095 Da
• Monoisotopic Mass: 193.095 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 154.000
• 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