ChemSpider 2D Image | [(3S,5R)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate | C19H24BrN8O10P

[(3S,5R)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate

  • Molecular FormulaC19H24BrN8O10P
  • Average mass635.319 Da
  • Monoisotopic mass634.053650 Da
  • ChemSpider ID113037
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

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

Density: 2.3±0.1 g/cm3
Boiling Point: 967.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 538.8±37.1 °C
Index of Refraction: 1.899
Molar Refractivity: 126.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.00
ACD/LogD (pH 5.5): -6.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 121.2±7.0 dyne/cm
Molar Volume: 271.9±7.0 cm3

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