ChemSpider 2D Image | [[(2R,3S,4R,5R)-5-(5-carbamoyl-2H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate | C21H28N6O15P2

[[(2R,3S,4R,5R)-5-(5-carbamoyl-2H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC21H28N6O15P2
  • Average mass666.426 Da
  • Monoisotopic mass666.108765 Da
  • ChemSpider ID129183289
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.834
Molar Refractivity: 134.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.95
ACD/LogD (pH 5.5): -9.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 125.3±7.0 dyne/cm
Molar Volume: 305.7±7.0 cm3

Click to predict properties on the Chemicalize site






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