ChemSpider 2D Image | [[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]methoxy-Hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-Carbamoylpyridin-1-Ium-1yl)- 3-Fluoro-,4- Hydroxyoxolan-2-Yl]methyl Phosphate | C21H26FN7O13P2

[[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]methoxy-Hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-Carbamoylpyridin-1-Ium-1yl)- 3-Fluoro-,4- Hydroxyoxolan-2-Yl]methyl Phosphate

  • Molecular FormulaC21H26FN7O13P2
  • Average mass665.416 Da
  • Monoisotopic mass665.104797 Da
  • ChemSpider ID25057413

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]methoxy-Hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-Carbamoylpyridin-1-Ium-1yl)- 3-Fluoro-,4- Hydroxyoxolan-2-Yl]methyl Phosphate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.36
ACD/LogD (pH 5.5): -5.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability:
Surface Tension:
Molar Volume:

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