ChemSpider 2D Image | Methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-8-azabicyclo[3.2.1]octane-2-carboxylate | C26H26F3NO6

Methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC26H26F3NO6
  • Average mass505.483 Da
  • Monoisotopic mass505.171234 Da
  • ChemSpider ID8990722

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,3S,5S)-3-(Benzoyloxy)-8-[(2R)-3,3,3-trifluoro-2-méthoxy-2-phénylpropanoyl]-8-azabicyclo[3.2.1]octane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-[(2R)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl]-, methyl ester, (1R,2R,3S,5S)- [ACD/Index Name]
Methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,3S,5S)-3-(benzoyloxy)-8-[(2R)-3,3,3-trifluor-2-methoxy-2-phenylpropanoyl]-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 303.0±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4493.39
ACD/KOC (pH 5.5): 14325.36
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4493.39
ACD/KOC (pH 7.4): 14325.36
Polar Surface Area: 82 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 373.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement