ChemSpider 2D Image | 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole | C9H15N3O6

1-β-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole

  • Molecular FormulaC9H15N3O6
  • Average mass261.232 Da
  • Monoisotopic mass261.096100 Da
  • ChemSpider ID24653159
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-(β-D-Glucopyranosyl)-4-(hydroxymethyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-4-(hydroxymethyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-4-(hydroxyméthyl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole, 1-β-D-glucopyranosyl-4-(hydroxymethyl)- [ACD/Index Name]
1-β-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole
RUG

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

Density: 2.0±0.1 g/cm3
Boiling Point: 621.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.7±34.3 °C
Index of Refraction: 1.753
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 141 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 91.5±7.0 dyne/cm
Molar Volume: 133.7±7.0 cm3

Click to predict properties on the Chemicalize site






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