ChemSpider 2D Image | 4,5-Dihydroxy-6-(hydroxymethyl)-3-oxotetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name) | C15H22N2O17P2

4,5-Dihydroxy-6-(hydroxymethyl)-3-oxotetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name)

  • Molecular FormulaC15H22N2O17P2
  • Average mass564.286 Da
  • Monoisotopic mass564.039368 Da
  • ChemSpider ID9888919

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

4,5-Dihydroxy-6-(hydroxymethyl)-3-oxotetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
4,5-Dihydroxy-6-(hydroxymethyl)-3-oxotetrahydro-2H-pyran-2-yl-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat (non-preferred nam e) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de 4,5-dihydroxy-6-(hydroxyméthyl)-3-oxotétrahydro-2H-pyran-2-yle et de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle (non -preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 105.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.62
ACD/LogD (pH 5.5): -9.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 308 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 121.8±5.0 dyne/cm
Molar Volume: 285.2±5.0 cm3

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