ChemSpider 2D Image | 6-(3-Fluoro-4-methoxyphenyl)-9-isopropyl-2,8-bis(4-methoxyphenyl)-9H-purine | C29H27FN4O3

6-(3-Fluoro-4-methoxyphenyl)-9-isopropyl-2,8-bis(4-methoxyphenyl)-9H-purine

  • Molecular FormulaC29H27FN4O3
  • Average mass498.548 Da
  • Monoisotopic mass498.206726 Da
  • ChemSpider ID30658795

More details:

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

6-(3-Fluor-4-methoxyphenyl)-9-isopropyl-2,8-bis(4-methoxyphenyl)-9H-purin [German] [ACD/IUPAC Name]
6-(3-Fluoro-4-methoxyphenyl)-9-isopropyl-2,8-bis(4-methoxyphenyl)-9H-purine [ACD/IUPAC Name]
6-(3-Fluoro-4-méthoxyphényl)-9-isopropyl-2,8-bis(4-méthoxyphényl)-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 6-(3-fluoro-4-methoxyphenyl)-2,8-bis(4-methoxyphenyl)-9-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 593.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.8±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12885.39
ACD/KOC (pH 5.5): 30445.45
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12892.94
ACD/KOC (pH 7.4): 30463.31
Polar Surface Area: 71 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 399.2±7.0 cm3

Click to predict properties on the Chemicalize site


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