ChemSpider 2D Image | 5-(Ethylsulfonyl)-1-[(2xi)-beta-D-threo-pentofuranosyl]-1H-imidazole-4-carboxamide | C11H17N3O7S

5-(Ethylsulfonyl)-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-imidazole-4-carboxamide

  • Molecular FormulaC11H17N3O7S
  • Average mass335.334 Da
  • Monoisotopic mass335.078705 Da
  • ChemSpider ID98607748

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Imidazole-4-carboxamide, 5-(ethylsulfonyl)-1-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
5-(Ethylsulfonyl)-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
5-(Ethylsulfonyl)-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
5-(Éthylsulfonyl)-1-[(2ξ)-β-D-thréo-pentofuranosyl]-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 804.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.3±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 71.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.13
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 173 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 84.5±7.0 dyne/cm
Molar Volume: 180.1±7.0 cm3

Click to predict properties on the Chemicalize site


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