ChemSpider 2D Image | Triphosphoric acid, mono[5-(4-amino-5-methyl-2-oxo-1(2H)-pyrimidinyl)tetrahydro-3-hydroxy-2-furanyl] ester | C9H16N3O13P3

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

  • Molecular FormulaC9H16N3O13P3
  • Average mass467.157 Da
  • Monoisotopic mass466.989594 Da
  • ChemSpider ID25032620

More details:

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

Triphosphoric acid, mono[5-(4-amino-5-methyl-2-oxo-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: 2.4±0.1 g/cm3
Boiling Point: 805.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.3±6.0 kJ/mol
Flash Point: 440.8±37.1 °C
Index of Refraction: 1.777
Molar Refractivity: 81.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -5.30
ACD/LogD (pH 5.5): -11.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 158.1±7.0 dyne/cm
Molar Volume: 194.7±7.0 cm3

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