ChemSpider 2D Image | [[[[(2r,5s)-5-(4-Azanyl-5-Fluoranyl-2-Oxidanylidene-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]amino]phosphonic Acid | C8H14FN4O11P3S

[[[[(2r,5s)-5-(4-Azanyl-5-Fluoranyl-2-Oxidanylidene-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]amino]phosphonic Acid

  • Molecular FormulaC8H14FN4O11P3S
  • Average mass486.202 Da
  • Monoisotopic mass485.957672 Da
  • ChemSpider ID35033347

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[[[[(2r,5s)-5-(4-Azanyl-5-Fluoranyl-2-Oxidanylidene-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]amino]phosphonic Acid
0G4

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

Density: 2.5±0.1 g/cm3
Boiling Point: 781.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.6±6.0 kJ/mol
Flash Point: 426.2±35.7 °C
Index of Refraction: 1.813
Molar Refractivity: 85.5±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.05
ACD/LogD (pH 5.5): -11.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 160.3±7.0 dyne/cm
Molar Volume: 197.8±7.0 cm3

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