ChemSpider 2D Image | Triphosphoric acid, mono[5-[4-amino-2-oxo-5-(1-propyn-1-yl)-1(2H)-pyrimidinyl]tetrahydro-3-hydroxy-2-furanyl] ester | C11H16N3O13P3

Triphosphoric acid, mono[5-[4-amino-2-oxo-5-(1-propyn-1-yl)-1(2H)-pyrimidinyl]tetrahydro-3-hydroxy-2-furanyl] ester

  • Molecular FormulaC11H16N3O13P3
  • Average mass491.178 Da
  • Monoisotopic mass490.989594 Da
  • ChemSpider ID25035419

More details:

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

Triphosphoric acid, mono[5-[4-amino-2-oxo-5-(1-propyn-1-yl)-1(2H)-pyrimidinyl]tetrahydro-3-hydroxy-2-furanyl] ester [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 810.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.1±6.0 kJ/mol
Flash Point: 443.7±37.1 °C
Index of Refraction: 1.732
Molar Refractivity: 90.7±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -11.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 131.2±7.0 dyne/cm
Molar Volume: 226.8±7.0 cm3

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