ChemSpider 2D Image | [(1R,2R,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-6,7-dioxabicyclo[2.2.1]heptan-1-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid | C16H24N2O16P2

[(1R,2R,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-6,7-dioxabicyclo[2.2.1]heptan-1-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid

  • Molecular FormulaC16H24N2O16P2
  • Average mass562.313 Da
  • Monoisotopic mass562.060120 Da
  • ChemSpider ID9505422
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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: 1.661
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.01
ACD/LogD (pH 5.5): -9.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 112.4±3.0 dyne/cm
Molar Volume: 291.4±3.0 cm3

Click to predict properties on the Chemicalize site






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