ChemSpider 2D Image | 1-(5-O-Phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | C26H24F3N4O10PS

1-(5-O-Phosphono-β-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

  • Molecular FormulaC26H24F3N4O10PS
  • Average mass672.523 Da
  • Monoisotopic mass672.090271 Da
  • ChemSpider ID35033792

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(5-O-Phosphono-β-D-ribofuranosyl)-N-(4-{[3-(trifluormethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridin-5-carboxamid [German] [ACD/IUPAC Name]
1-(5-O-Phosphono-β-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide [ACD/IUPAC Name]
1-(5-O-Phosphono-β-D-ribofuranosyl)-N-(4-{[3-(trifluorométhyl)phényl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-5-carboxamide, 1-(5-O-phosphono-β-D-ribofuranosyl)-N-[[4-[[3-(trifluoromethyl)phenyl]sulfonyl]phenyl]methyl]- [ACD/Index Name]
20T

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -3.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 72.2±7.0 dyne/cm
Molar Volume: 383.9±7.0 cm3

Click to predict properties on the Chemicalize site


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