ChemSpider 2D Image | cis-4-({9-[(3S)-Tetrahydro-3-furanyl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | C21H23F3N6O2

cis-4-({9-[(3S)-Tetrahydro-3-furanyl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol

  • Molecular FormulaC21H23F3N6O2
  • Average mass448.441 Da
  • Monoisotopic mass448.183472 Da
  • ChemSpider ID28429462

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

cis-4-({9-[(3S)-Tetrahydro-3-furanyl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol [ACD/IUPAC Name]
cis-4-({9-[(3S)-Tétrahydro-3-furanyl]-8-[(2,4,6-trifluorophényl)amino]-9H-purin-2-yl}amino)cyclohexanol [French] [ACD/IUPAC Name]
cis-4-({9-[(3S)-Tetrahydro-3-furanyl]-8-[(2,4,6-trifluorphenyl)amino]-9H-purin-2-yl}amino)cyclohexanol [German] [ACD/IUPAC Name]
Cyclohexanol, 4-[[9-[(3S)-tetrahydro-3-furanyl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl]amino]-, cis- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 626.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.6±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.73
ACD/KOC (pH 5.5): 564.57
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.48
ACD/KOC (pH 7.4): 584.47
Polar Surface Area: 97 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 274.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement