ChemSpider 2D Image | (2S,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide | C20H21FN6O5

(2S,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide

  • Molecular FormulaC20H21FN6O5
  • Average mass444.416 Da
  • Monoisotopic mass444.155731 Da
  • ChemSpider ID26644167

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-N-{[1-(4-fluorophényl)-1H-pyrazol-4-yl]méthyl}-3,4-dihydroxy-N-méthyltétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-N-{[1-(4-fluorphenyl)-1H-pyrazol-4-yl]methyl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 725.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 392.8±35.7 °C
Index of Refraction: 1.718
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.05
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.35
Polar Surface Area: 147 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 276.4±7.0 cm3

Click to predict properties on the Chemicalize site


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