ChemSpider 2D Image | [[5-(6-amino-2-methyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-sulfanyl-methyl] dihydrogen phosphate | C11H16N5O7PS

[[5-(6-amino-2-methyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-sulfanyl-methyl] dihydrogen phosphate

  • Molecular FormulaC11H16N5O7PS
  • Average mass393.313 Da
  • Monoisotopic mass393.050812 Da
  • ChemSpider ID13277049

More details:

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

Density: 2.3±0.1 g/cm3
Boiling Point: 669.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.915
Molar Refractivity: 81.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.37
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 121.0±7.0 dyne/cm
Molar Volume: 173.5±7.0 cm3

Click to predict properties on the Chemicalize site


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