ChemSpider 2D Image | [5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [[5-(3-amino-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate | C20H30N7O16P3

[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [[5-(3-amino-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

  • Molecular FormulaC20H30N7O16P3
  • Average mass717.411 Da
  • Monoisotopic mass717.096191 Da
  • ChemSpider ID1892

More details:






Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 1101.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.6±3.0 kJ/mol
Flash Point: 620.2±37.1 °C
Index of Refraction: 1.853
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 23
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.32
ACD/LogD (pH 5.5): -10.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 377 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 142.9±7.0 dyne/cm
Molar Volume: 313.2±7.0 cm3

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