ChemSpider 2D Image | 3-[4-(4-Pentylphenyl)-1H-1,2,3-triazol-1-yl]-1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-5-carboxamide | C21H27N7O5

3-[4-(4-Pentylphenyl)-1H-1,2,3-triazol-1-yl]-1-(β-D-ribofuranosyl)-1H-1,2,4-triazole-5-carboxamide

  • Molecular FormulaC21H27N7O5
  • Average mass457.483 Da
  • Monoisotopic mass457.207367 Da
  • ChemSpider ID24632153
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1H-1,2,4-Triazole-5-carboxamide, 3-[4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl]-1-β-D-ribofuranosyl- [ACD/Index Name]
3-[4-(4-Pentylphenyl)-1H-1,2,3-triazol-1-yl]-1-(β-D-ribofuranosyl)-1H-1,2,4-triazol-5-carboxamid [German] [ACD/IUPAC Name]
3-[4-(4-Pentylphenyl)-1H-1,2,3-triazol-1-yl]-1-(β-D-ribofuranosyl)-1H-1,2,4-triazole-5-carboxamide [ACD/IUPAC Name]
3-[4-(4-Pentylphényl)-1H-1,2,3-triazol-1-yl]-1-(β-D-ribofuranosyl)-1H-1,2,4-triazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 794.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.3±35.7 °C
Index of Refraction: 1.736
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 94.91
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 94.91
Polar Surface Area: 174 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 288.2±7.0 cm3

Click to predict properties on the Chemicalize site






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