ChemSpider 2D Image | [[(2R,3S,4S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-5-cyano-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate | C11H17N4O14P3

[[(2R,3S,4S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-5-cyano-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

  • Molecular FormulaC11H17N4O14P3
  • Average mass522.192 Da
  • Monoisotopic mass521.995422 Da
  • ChemSpider ID129133873
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Density: 2.3±0.1 g/cm3
Boiling Point: 893.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.5±6.0 kJ/mol
Flash Point: 494.3±37.1 °C
Index of Refraction: 1.752
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.24
ACD/LogD (pH 5.5): -11.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 150.0±7.0 dyne/cm
Molar Volume: 231.5±7.0 cm3

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