ChemSpider 2D Image | 1-(beta-D-Glucopyranosyl)-4-(4-sulfamoylphenyl)-1H-1,2,3-triazole | C14H18N4O7S

1-(β-D-Glucopyranosyl)-4-(4-sulfamoylphenyl)-1H-1,2,3-triazole

  • Molecular FormulaC14H18N4O7S
  • Average mass386.380 Da
  • Monoisotopic mass386.089630 Da
  • ChemSpider ID23325447

  • 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-(4-sulfamoylphenyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-4-(4-sulfamoylphenyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-4-(4-sulfamoylphényl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole, 4-[4-(aminosulfonyl)phenyl]-1-β-D-glucopyranosyl- [ACD/Index Name]
4-[4-(aminosulfonyl)phenyl]-1-(-D-glucopyranosyl)-1H-1,2,3-triazole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL270990/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 757.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.0±35.7 °C
Index of Refraction: 1.778
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.73
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.71
Polar Surface Area: 189 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 91.1±7.0 dyne/cm
Molar Volume: 205.3±7.0 cm3

Click to predict properties on the Chemicalize site


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