ChemSpider 2D Image | 1-(beta-D-Glucopyranosyl)-5-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione | C11H13F3N2O7

1-(β-D-Glucopyranosyl)-5-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H13F3N2O7
  • Average mass342.225 Da
  • Monoisotopic mass342.067474 Da
  • ChemSpider ID35035986
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-(β-D-Glucopyranosyl)-5-(trifluormethyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-(trifluorométhyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(β-D-Glucopyranosyl)-5-(Trifluoromethyl)pyrimidine-2,4(1h,3h)-Dione
2,4(1H,3H)-Pyrimidinedione, 1-β-D-glucopyranosyl-5-(trifluoromethyl)- [ACD/Index Name]
GPW

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.580
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.29
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.91
Polar Surface Area: 140 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 191.6±3.0 cm3

Click to predict properties on the Chemicalize site






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