N-Acetyl-3-O-methyl-D-glucosamine (3-O-Methyl-N-acetyl-D-glucosamine) , CAS No.94825-74-8

CAS: 94825-74-8 Cat. No.: A275599 Peso molecular: 235.23 PubChem CID: 53230018

Synonyms

W-204117 | 2-(acetylamino)-2-deoxy-3-O-methyl-D-glucose | N-((3R,4R,5S,6R)-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-4-METHOXYTETRAHYDRO-2H-PYRAN-3-YL)ACETAMIDE | SCHEMBL11285039 | NAGK i | 3-O-Methyl-N-acetyl-D-glucosamine | NAGKi | NAGK-i | 3-O-methyl-GlcNAc | DT

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store In the Dark. This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes.

Specifications

Sinónimos

W-204117 | 2-(acetylamino)-2-deoxy-3-O-methyl-D-glucose | N-((3R, 4R, 5S, 6R)-2, 5-DIHYDROXY-6-(HYDROXYMETHYL)-4-METHOXYTETRAHYDRO-2H-PYRAN-3-YL)ACETAMIDE | SCHEMBL11285039 | NAGK i | 3-O-Methyl-N-acetyl-D-glucosamine | NAGKi | NAGK-i | 3-O-methyl-GlcNAc | DT

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC1C(C(C(OC1O)CO)O)OC
• IUPAC Name: N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide
• InChIKey: SXGSBXSSPNINRW-VARJHODCSA-N
• INCHI: 1S/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9?/m1/s1
• Isómeros SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)OC
• PubChem CID: 53230018
• Peso molecular: 235.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Amino sugars
            • Level7 Acylaminosugars

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Amino sugars
• Direct Parent: Acylaminosugars
• Alternative Parents: N-acyl-alpha-hexosamines Oxanes Monosaccharides Acetamides Secondary carboxylic acid amides Secondary alcohols Hemiacetals Oxacyclic compounds Dialkyl ethers Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Acylaminosugar - N-acyl-alpha-hexosamine - Monosaccharide - Oxane - Acetamide - Carboxamide group - Hemiacetal - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organopnictogen compound - Primary alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 25 mM and in DMSO to 25 mM
• Sensibilidad: air and light sensitive
• Peso molecular: 235.230 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 235.106 Da
• Monoisotopic Mass: 235.106 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 248.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1