ChemSpider 2D Image | 1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazole-3-carbonitrile | C8H11N5O6S

1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC8H11N5O6S
  • Average mass305.268 Da
  • Monoisotopic mass305.042999 Da
  • ChemSpider ID24657780

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-(5-O-Sulfamoyl-D-ribofuranosyl)-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-[5-O-(aminosulfonyl)-D-ribofuranosyl]- [ACD/Index Name]
1-(5'-O-SULFAMOYL-SS-D-RIBOFURANOSYL)(1,2,4)TRIAZOLE-3-CARBONITRILE

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

Density: 2.1±0.1 g/cm3
Boiling Point: 674.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.5±34.3 °C
Index of Refraction: 1.800
Molar Refractivity: 62.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.43
Polar Surface Area: 182 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 109.3±7.0 dyne/cm
Molar Volume: 146.1±7.0 cm3

Click to predict properties on the Chemicalize site


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