ChemSpider 2D Image | [[[[(2r,5s)-5-(4-Azanyl-2-Oxidanylidene-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]amino]phosphonic Acid | C8H15N4O11P3S

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

  • Molecular FormulaC8H15N4O11P3S
  • Average mass468.211 Da
  • Monoisotopic mass467.967072 Da
  • ChemSpider ID35035281

  • 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-2-Oxidanylidene-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]amino]phosphonic Acid
3TT

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

Density: 2.4±0.1 g/cm3
Boiling Point: 809.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 127.8±6.0 kJ/mol
Flash Point: 443.1±37.1 °C
Index of Refraction: 1.831
Molar Refractivity: 85.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.35
ACD/LogD (pH 5.5): -11.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 169.8±7.0 dyne/cm
Molar Volume: 194.9±7.0 cm3

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