ChemSpider 2D Image | [(2R,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosph ate | C15H23FN2O16P2

[(2R,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosph ate

  • Molecular FormulaC15H23FN2O16P2
  • Average mass568.293 Da
  • Monoisotopic mass568.050659 Da
  • ChemSpider ID17348171

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluor-3-hydroxytetrahydro-2-furanyl]methyl-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
[(2R,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosph ate [ACD/IUPAC Name]
[(2R,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
Dihydrogénodiphosphate de [(2R,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro- 2H-pyran-2-yle [French] [ACD/IUPAC Name]
diphosphoric acid 1-α-D-glucopyranosyl ester 2-((2'-fluoro-2''-deoxyara)uridin-5''-yl) ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL390604/

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 105.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.10
ACD/LogD (pH 5.5): -9.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 108.8±5.0 dyne/cm
Molar Volume: 293.9±5.0 cm3

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