ChemSpider 2D Image | 4-Amino-1-(2-deoxy-2-fluoro-beta-D-xylofuranosyl)-5-fluoro-2(1H)-pyrimidinone | C9H11F2N3O4

4-Amino-1-(2-deoxy-2-fluoro-β-D-xylofuranosyl)-5-fluoro-2(1H)-pyrimidinone

  • Molecular FormulaC9H11F2N3O4
  • Average mass263.198 Da
  • Monoisotopic mass263.071747 Da
  • ChemSpider ID110803872

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-β-D-xylofuranosyl)-5-fluoro- [ACD/Index Name]
4-Amino-1-(2-deoxy-2-fluoro-β-D-xylofuranosyl)-5-fluoro-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(2-désoxy-2-fluoro-β-D-xylofuranosyl)-5-fluoro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-2-fluor-β-D-xylofuranosyl)-5-fluor-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 467.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 236.7±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 51.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.19
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.19
Polar Surface Area: 108 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 137.0±7.0 cm3

Click to predict properties on the Chemicalize site


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