ChemSpider 2D Image | (2R,3S)-3-(Benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid | C15H17NO4

(2R,3S)-3-(Benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid

  • Molecular FormulaC15H17NO4
  • Average mass275.300 Da
  • Monoisotopic mass275.115753 Da
  • ChemSpider ID25060367

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,3S)-3-(Benzoyloxy)-8-azabicyclo[3.2.1]octan-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,3S)-3-(Benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-, (2R,3S)- [ACD/Index Name]
Acide (2R,3S)-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylique [French] [ACD/IUPAC 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: 456.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.9±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 208.0±5.0 cm3

Click to predict properties on the Chemicalize site


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