ChemSpider 2D Image | 6-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-2-hexanyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate | C23H27F3N4O5

6-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-2-hexanyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

  • Molecular FormulaC23H27F3N4O5
  • Average mass496.479 Da
  • Monoisotopic mass496.193359 Da
  • ChemSpider ID64884605

More details:

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

3,3,3-Trifluoro-2-méthoxy-2-phénylpropanoate de 6-(3,7-diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-1-yl)-2-hexanyle [French] [ACD/IUPAC Name]
6-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-2-hexanyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate [ACD/IUPAC Name]
6-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-2-hexanyl-3,3,3-trifluor-2-methoxyhydratropaat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-, 1-methyl-5-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)pentyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.5±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1163.18
ACD/KOC (pH 5.5): 5444.87
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1163.19
ACD/KOC (pH 7.4): 5444.92
Polar Surface Area: 94 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement