ChemSpider 2D Image | [[(2R,3S,4R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-butyl-3-hydroxy-5-phenyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate | C20H28N5O13P3

[[(2R,3S,4R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-butyl-3-hydroxy-5-phenyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

  • Molecular FormulaC20H28N5O13P3
  • Average mass639.383 Da
  • Monoisotopic mass639.089661 Da
  • ChemSpider ID65792374
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

butylphenyl-deoxyguanosine triphosphate

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -8.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 108.0±7.0 dyne/cm
Molar Volume: 328.7±7.0 cm3

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