ChemSpider 2D Image | [(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,5s,6r)-3,3,4,4-Tetrafluoro-5-Hydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate (Non-Preferred Name) | C15H20F4N2O15P2

[(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,5s,6r)-3,3,4,4-Tetrafluoro-5-Hydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate (Non-Preferred Name)

  • Molecular FormulaC15H20F4N2O15P2
  • Average mass606.265 Da
  • Monoisotopic mass606.027527 Da
  • ChemSpider ID35035292
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphos phate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,5S,6R)-3,3,4,4-tetrafluor-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogendiphospha t (non-preferred name) [German] [ACD/IUPAC Name]
[(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,5s,6r)-3,3,4,4-Tetrafluoro-5-Hydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate (Non-Preferred Name)
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,5S,6R)-3,3,4,4-tétrafluoro-5-hydroxy-6-(hydroxyméthyl)tétrahydr o-2H-pyran-2-yle (non-preferred name) [French] [ACD/IUPAC Name]
3UC

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 104.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -8.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 310.8±5.0 cm3

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