2-Azidoethyl 2-Acetamido-2-deoxy-β-D-glucopyranoside - ≥98%(HPLC) , CAS No.142072-12-6

CAS: 142072-12-6 Cat. No.: A151080 Molecular Weight: 290.28

GRADE & PURITY ≥98%(HPLC)

Synonyms

AS-70565 | 2-Azidoethyl 2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranoside | N-[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | 2-Azidoethyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside | AKOS037646739 | SCHEMBL17287178 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AS-70565 | 2-Azidoethyl 2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranoside | N-[(2R, 3R, 4R, 5S, 6R)-2-(2-azidoethoxy)-4, 5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | 2-Azidoethyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside | AKOS037646739 | SCHEMBL17287178 |

Specifications & Purity

≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC(=O)NC1C(C(C(OC1OCCN=[N+]=[N-])CO)O)O
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• InChIKey: DHQJPCIPZHPDSL-VVULQXIFSA-N
• INCHI: 1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O
• Molecular Weight: 290.28
• Reaxy-Rn: 37895045
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37895045&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: N-acyl-alpha-hexosamines
• Alternative Parents: Hexoses O-glycosyl compounds Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Azo compounds Azo imides Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-hexosamine - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Monosaccharide - Acetamide - Azo compound - Azo imide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Molecular Weight: 290.270 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 290.123 Da
• Monoisotopic Mass: 290.123 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 375.000
• 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