ChemSpider 2D Image | [[(2R,3R,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2-dihydropyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate | C21H32N7O17P3

[[(2R,3R,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2-dihydropyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate

  • Molecular FormulaC21H32N7O17P3
  • Average mass747.437 Da
  • Monoisotopic mass747.106750 Da
  • ChemSpider ID109484293

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

Density:
Boiling Point: 1164.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.2±3.0 kJ/mol
Flash Point: 657.9±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.19
ACD/LogD (pH 5.5): -9.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 395 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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