ChemSpider 2D Image | Methyl 6-deoxy-6-{4-[(3-sulfamoylphenoxy)methyl]-1H-1,2,3-triazol-1-yl}-beta-D-glucopyranoside | C16H22N4O8S

Methyl 6-deoxy-6-{4-[(3-sulfamoylphenoxy)methyl]-1H-1,2,3-triazol-1-yl}-β-D-glucopyranoside

  • Molecular FormulaC16H22N4O8S
  • Average mass430.433 Da
  • Monoisotopic mass430.115845 Da
  • ChemSpider ID115010915

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-Désoxy-6-{4-[(3-sulfamoylphénoxy)méthyl]-1H-1,2,3-triazol-1-yl}-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 6-deoxy-6-{4-[(3-sulfamoylphenoxy)methyl]-1H-1,2,3-triazol-1-yl}-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl-6-desoxy-6-{4-[(3-sulfamoylphenoxy)methyl]-1H-1,2,3-triazol-1-yl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, methyl 6-[4-[[3-(aminosulfonyl)phenoxy]methyl]-1H-1,2,3-triazol-1-yl]-6-deoxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 730.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.3±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.41
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.39
Polar Surface Area: 188 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 252.2±7.0 cm3

Click to predict properties on the Chemicalize site


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