ChemSpider 2D Image | 1-(2-Deoxy-2-fluoro-5-O-phosphono-beta-D-xylofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione | C10H14FN2O8P

1-(2-Deoxy-2-fluoro-5-O-phosphono-β-D-xylofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H14FN2O8P
  • Average mass340.199 Da
  • Monoisotopic mass340.047180 Da
  • ChemSpider ID58806480

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(2-Deoxy-2-fluoro-5-O-phosphono-β-D-xylofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2-Desoxy-2-fluor-5-O-phosphono-β-D-xylofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2-Désoxy-2-fluoro-5-O-phosphono-β-D-xylofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-5-O-phosphono-β-D-xylofuranosyl)-5-methyl- [ACD/Index Name]
((2R,3S,4R,5R)-4-Fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
488099-51-0 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -6.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 196.1±5.0 cm3

Click to predict properties on the Chemicalize site


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