ChemSpider 2D Image | [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[hydroxy-[[(2S,4R,5R)-4-hydroxy-5-(2-hydroxy-4-imino-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl] hydrogen phosphate | C18H27N5O21P4

[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[hydroxy-[[(2S,4R,5R)-4-hydroxy-5-(2-hydroxy-4-imino-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl] hydrogen phosphate

  • Molecular FormulaC18H27N5O21P4
  • Average mass773.323 Da
  • Monoisotopic mass773.014893 Da
  • ChemSpider ID57262051
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

318250-11-2 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1073.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 178.0±6.0 kJ/mol
Flash Point: 602.8±37.1 °C
Index of Refraction: 1.814
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 26
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -8.64
ACD/LogD (pH 5.5): -16.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -16.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 426 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 157.5±7.0 dyne/cm
Molar Volume: 324.0±7.0 cm3

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