ChemSpider 2D Image | Triphosphoric acid, mono[(2E)-3-hydroxy-2-[[(E)-2-hydroxy-1-(3H-imidazo[2,1-i]purin-3-yl)ethenyl]oxy]-2-propen-1-yl] ester | C12H14N5O13P3

Triphosphoric acid, mono[(2E)-3-hydroxy-2-[[(E)-2-hydroxy-1-(3H-imidazo[2,1-i]purin-3-yl)ethenyl]oxy]-2-propen-1-yl] ester

  • Molecular FormulaC12H14N5O13P3
  • Average mass529.187 Da
  • Monoisotopic mass528.980103 Da
  • ChemSpider ID95713589

  • Double-bond stereo - Double-bond stereo

More details:

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

Triphosphoric acid, mono[(2E)-3-hydroxy-2-[[(E)-2-hydroxy-1-(3H-imidazo[2,1-i]purin-3-yl)ethenyl]oxy]-2-propen-1-yl] ester [ACD/Index Name]

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: 1.791
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.26
ACD/LogD (pH 5.5): -10.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 143.4±7.0 dyne/cm
Molar Volume: 238.5±7.0 cm3

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