ChemSpider 2D Image | (1E)-N-[(2R,3R,5R)-5-[[[[(2R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-2,4-dihydroxy-tetrahydrofuran-3-yl]ethanimidate | C17H24N6O14P2

(1E)-N-[(2R,3R,5R)-5-[[[[(2R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-2,4-dihydroxy-tetrahydrofuran-3-yl]ethanimidate

  • Molecular FormulaC17H24N6O14P2
  • Average mass598.353 Da
  • Monoisotopic mass598.083679 Da
  • ChemSpider ID21430672

  • Charge - Charge

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

Density:
Boiling Point: 1023.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 156.6±0.0 kJ/mol
Flash Point: 572.7±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.37
ACD/LogD (pH 5.5): -7.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 329 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement