ChemSpider 2D Image | 2-aminoethyl [(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphono phosphate | C11H20N4O9P2

2-aminoethyl [(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphono phosphate

  • Molecular FormulaC11H20N4O9P2
  • Average mass414.245 Da
  • Monoisotopic mass414.070557 Da
  • ChemSpider ID109121368
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

Density: 1.9±0.1 g/cm3
Boiling Point: 639.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 340.3±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 82.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -4.03
ACD/LogD (pH 5.5): -7.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 104.4±7.0 dyne/cm
Molar Volume: 215.0±7.0 cm3

Click to predict properties on the Chemicalize site






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