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ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (
non-preferred name) | C16H25N5O16P2

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate ( non-preferred name)

  • Molecular FormulaC16H25N5O16P2
  • Average mass605.341 Da
  • Monoisotopic mass605.077148 Da
  • ChemSpider ID17216073
  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Density: 2.5±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.890
Molar Refractivity: 111.2±0.0 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -3.35
ACD/LogD (pH 5.5): -7.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 44.1±0.0 10-24cm3
Surface Tension: 160.3±0.0 dyne/cm
Molar Volume: 240.6±0.0 cm3

Click to predict properties on the Chemicalize site

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