ChemSpider 2D Image | [3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]methyl-[[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid | C16H24N2O15P2

[3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]methyl-[[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid

  • Molecular FormulaC16H24N2O15P2
  • Average mass546.314 Da
  • Monoisotopic mass546.065186 Da
  • ChemSpider ID24654399
  • defined stereocentres - 3 of 7 defined stereocentres


More details:






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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -5.97
ACD/LogD (pH 5.5): -10.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 282 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 102.1±3.0 dyne/cm
Molar Volume: 298.2±3.0 cm3

Click to predict properties on the Chemicalize site






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