ChemSpider 2D Image | Methyl 3-O-{[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}-beta-D-galactopyranoside | C16H22N4O8S

Methyl 3-O-{[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}-β-D-galactopyranoside

  • Molecular FormulaC16H22N4O8S
  • Average mass430.433 Da
  • Monoisotopic mass430.115845 Da
  • ChemSpider ID90659290
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

3-O-{[1-(4-Sulfamoylphényl)-1H-1,2,3-triazol-4-yl]méthyl}-β-D-galactopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 3-O-{[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}-β-D-galactopyranoside [ACD/IUPAC Name]
Methyl-3-O-{[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, methyl 3-O-[[1-[4-(aminosulfonyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 737.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.0±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: -0.47
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.34
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.29
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

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