2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl Azide - ≥98% , CAS No.214467-60-4

CAS: 214467-60-4 Cat. No.: A151075 Molecular Weight: 516.6 PubChem CID: 15379132

GRADE & PURITY ≥98%

Synonyms

2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl azide, >=98.0% (HPLC) | T70564 | DTXSID30572189 | J-014076 | MFCD06797049 | 2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl Azide | SCHEMBL23161900 | N-{(2R,3R,4R,5S,6R)-2-Azido-4,5

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Acetamido-3, 4, 6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl azide, >=98.0% (HPLC) | T70564 | DTXSID30572189 | J-014076 | MFCD06797049 | 2-Acetamido-3, 4, 6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl Azide | SCHEMBL23161900 | N-{(2R, 3R, 4R, 5S, 6R)-2-Azido-4, 5

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1C(C(C(OC1N=[N+]=[N-])COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
• InChIKey: XOOBJDMHDWWHLZ-HWVUQVAQSA-N
• INCHI: 1S/C29H32N4O5/c1-21(34)31-26-28(37-19-24-15-9-4-10-16-24)27(36-18-23-13-7-3-8-14-23)25(38-29(26)32-33-30)20-35-17-22-11-5-2-6-12-22/h2-16,25-29H,17-20H2,1H3,(H,31,34)/t25-,26-,27-,28-,29-/m1/s1
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
• WGK Germany: 3
• PubChem CID: 15379132
• Molecular Weight: 516.6
• Reaxy-Rn: 8124029

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Benzylethers Oxanes Acetamides Secondary carboxylic acid amides Azo imides Azo compounds Oxacyclic compounds Dialkyl ethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - Benzylether - Monocyclic benzene moiety - Benzenoid - Oxane - Acetamide - Azo compound - Azo imide - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Dialkyl ether - Organic nitrogen compound - Organonitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Specific Rotation[α]: 6° (C=1,CHCl3)
• Molecular Weight: 516.600 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 516.237 Da
• Monoisotopic Mass: 516.237 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 745.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1