ChemSpider 2D Image | (2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3-fluoro-4-hydroxytetrahydro-2-furanyl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosph ate | C15H23FN2O16P2

(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3-fluoro-4-hydroxytetrahydro-2-furanyl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosph ate

  • Molecular FormulaC15H23FN2O16P2
  • Average mass568.293 Da
  • Monoisotopic mass568.050659 Da
  • ChemSpider ID9149019

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3-fluor-4-hydroxytetrahydro-2-furanyl-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3-fluoro-4-hydroxytetrahydro-2-furanyl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosph ate [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,3R,4S,5S)-5-[(1R)-1,2-dihydroxyéthyl]-3-fluoro-4-hydroxytétrahydro-2-furanyle et de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-f uranyl]méthyle [French] [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:
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: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.20
ACD/LogD (pH 5.5): -10.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.24
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

Click to predict properties on the Chemicalize site


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