ChemSpider 2D Image | 1-(beta-D-Glucopyranosyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid | C11H13F3N2O7

1-(β-D-Glucopyranosyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC11H13F3N2O7
  • Average mass342.225 Da
  • Monoisotopic mass342.067474 Da
  • ChemSpider ID95601131

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-(β-D-Glucopyranosyl)-3-(trifluormethyl)-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-5-carboxylic acid, 1-β-D-glucopyranosyl-3-(trifluoromethyl)- [ACD/Index Name]
Acide 1-(β-D-glucopyranosyl)-3-(trifluorométhyl)-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 609.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 61.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 66.2±7.0 dyne/cm
Molar Volume: 172.5±7.0 cm3

Click to predict properties on the Chemicalize site


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