Benzyl 2-Acetamido-2-deoxy-α-D-glucopyranoside - ≥97% , CAS No.13343-62-9

CAS: 13343-62-9 Cat. No.: B333665 Peso molecular: 311.33 Número EC: 692-881-9

GRADE & PURITY ≥97%

Synonyms

BENZYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE | Benzyl 2-(Acetylamino)-2-Deoxy-Alpha-D-Glucopyranoside | SR-01000633219-1 | Benzyl 2-acetamido-2-deoxy-.alpha.-D-glucopyranoside | MFCD00070371 | AMY16285 | BBV | DTXSID80928117 | Phenylmethyl 2-(Acetyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BENZYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE | Benzyl 2-(Acetylamino)-2-Deoxy-Alpha-D-Glucopyranoside | SR-01000633219-1 | Benzyl 2-acetamido-2-deoxy-.alpha.-D-glucopyranoside | MFCD00070371 | AMY16285 | BBV | DTXSID80928117 | Phenylmethyl 2-(Acetyl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

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.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488194058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194058
• Sonrisas canónicas: CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)O
• IUPAC Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
• InChIKey: SKOZFDIGKDPQBO-RYPNDVFKSA-N
• INCHI: 1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1
• Isómeros SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)CO)O)O
• Peso molecular: 311.33
• Reaxy-Rn: 24899645
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24899645&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 N-acyl-alpha-hexosamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: N-acyl-alpha-hexosamines
• Alternative Parents: Hexoses O-glycosyl compounds Oxanes Benzene and substituted derivatives Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-hexosamine - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an 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

Objetivos asociados (humanos)

A-375 (9258 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, Hot Ethanol, Methanol and Water
• Punto de fusión (°C): 183-185°C (lit.)
• Peso molecular: 311.330 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 311.137 Da
• Monoisotopic Mass: 311.137 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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