N-Hexanoyl-D-glucosamine - ≥98%(N) , CAS No.19817-88-0

CAS: 19817-88-0 Cat. No.: N159496 Fórmula: C₁₂H₂₃NO₆ Peso molecular: 277.32 PubChem CID: 22896151

GRADE & PURITY ≥98%(N)

Synonyms

2-Deoxy-2-hexanamido-D-glucopyranose

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Deoxy-2-hexanamido-D-glucopyranose

Especificações e pureza

≥98%(N)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(N)

Nomes e identificadores

• Pubchem Sid: 488200246
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200246
• Sorrisos canónicos: CCCCCC(=O)NC(C=O)C(C(C(CO)O)O)O
• IUPAC Name: N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexanamide
• InChIKey: QLZZYPWIRVQENX-LUTQBAROSA-N
• INCHI: 1S/C12H23NO6/c1-2-3-4-5-10(17)13-8(6-14)11(18)12(19)9(16)7-15/h6,8-9,11-12,15-16,18-19H,2-5,7H2,1H3,(H,13,17)/t8-,9+,11+,12+/m0/s1
• SMILES isoméricas: CCCCCC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
• PubChem CID: 22896151
• Peso molecular: 277.32
• Reaxy-Rn: 6779954

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Aminosaccharides N-acyl amines Beta-hydroxy aldehydes Secondary carboxylic acid amides Secondary alcohols 1,2-diols Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - Amino saccharide - Beta-hydroxy aldehyde - Fatty amide - Fatty acyl - N-acyl-amine - 1,2-diol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Polyol - Aldehyde - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Rotação específica [α]: 98° (C=1,Pyridine)
• Peso molecular: 277.310 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 277.153 Da
• Monoisotopic Mass: 277.153 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 273.000
• 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