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Search term: VSHQPKCNSXNMAE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-[(Aminooxy)methyl]-1-(beta-D-glucopyranosyl)-1H-1,2,3-triazole | C9H16N4O6

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

  • Molecular FormulaC9H16N4O6
  • Average mass276.246 Da
  • Monoisotopic mass276.106995 Da
  • ChemSpider ID83095448
  • 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)methyl]-1-β-D-glucopyranosyl- [ACD/Index Name]
4-[(Aminooxy)methyl]-1-(β-D-glucopyranosyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-[(Aminooxy)methyl]-1-(β-D-glucopyranosyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
4-[(Aminooxy)méthyl]-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: 2.0±0.1 g/cm3
Boiling Point: 648.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.1±34.3 °C
Index of Refraction: 1.753
Molar Refractivity: 57.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.92
Polar Surface Area: 156 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 93.3±7.0 dyne/cm
Molar Volume: 139.7±7.0 cm3

Click to predict properties on the Chemicalize site






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