ChemSpider 2D Image | 4-{4-[(D-Arabinopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}benzenesulfonamide | C14H18N4O7S

4-{4-[(D-Arabinopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}benzenesulfonamide

  • Molecular FormulaC14H18N4O7S
  • Average mass386.380 Da
  • Monoisotopic mass386.089630 Da
  • ChemSpider ID23280807

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

4-{4-[(D-Arabinopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}benzenesulfonamide [ACD/IUPAC Name]
4-{4-[(D-Arabinopyranosyloxy)méthyl]-1H-1,2,3-triazol-1-yl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{4-[(D-Arabinopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[4-[(D-arabinopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]
4-(4-{[α/β-D-arabinopyranosyl)oxymethyl}-1-H-1,2,3-triazol-1-yl)benzensulfonamide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 692.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.7±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.90
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.87
Polar Surface Area: 178 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 83.1±7.0 dyne/cm
Molar Volume: 214.5±7.0 cm3

Click to predict properties on the Chemicalize site


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