ChemSpider 2D Image | 4-[(Aminooxy)carbonyl]-1-(beta-D-glucopyranosyl)-1H-1,2,3-triazole | C9H14N4O7

4-[(Aminooxy)carbonyl]-1-(β-D-glucopyranosyl)-1H-1,2,3-triazole

  • Molecular FormulaC9H14N4O7
  • Average mass290.230 Da
  • Monoisotopic mass290.086243 Da
  • ChemSpider ID24647718
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-1,2,3-Triazole, 4-[(aminooxy)carbonyl]-1-β-D-glucopyranosyl- [ACD/Index Name]
4-[(Aminooxy)carbonyl]-1-(β-D-glucopyranosyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-[(Aminooxy)carbonyl]-1-(β-D-glucopyranosyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
4-[(Aminooxy)carbonyl]-1-(β-D-glucopyranosyl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point: 644.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±34.3 °C
Index of Refraction: 1.789
Molar Refractivity: 57.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 173 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 106.3±7.0 dyne/cm
Molar Volume: 136.9±7.0 cm3

Click to predict properties on the Chemicalize site






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