ChemSpider 2D Image | 2-({[1-(beta-D-Glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole | C20H24N10O7S2

2-({[1-(β-D-Glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole

  • Molecular FormulaC20H24N10O7S2
  • Average mass580.597 Da
  • Monoisotopic mass580.127075 Da
  • ChemSpider ID35035277
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1,3,4-Thiadiazole, 2-(aminosulfonyl)-5-[[(1-β-D-glucopyranosyl-1H-1,2,3-triazol-4-yl)methyl][(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino]- [ACD/Index Name]
2-({[1-(β-D-Glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazol [German] [ACD/IUPAC Name]
2-({[1-(β-D-Glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole [ACD/IUPAC Name]
2-({[1-(β-D-Glucopyranosyl)-1H-1,2,3-triazol-4-yl]méthyl}[(1-phényl-1H-1,2,3-triazol-4-yl)méthyl]amino)-5-sulfamoyl-1,3,4-thiadiazole [French] [ACD/IUPAC Name]
3T7

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

Density: 1.9±0.1 g/cm3
Boiling Point: 968.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.8±3.0 kJ/mol
Flash Point: 539.6±37.1 °C
Index of Refraction: 1.875
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.41
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 277 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 103.0±7.0 dyne/cm
Molar Volume: 299.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement