ChemSpider 2D Image | Carbonylbis[(3-exo)-8-azabicyclo[3.2.1]octane-8,3-diyl] bis(3,4-dimethoxybenzoate) | C33H40N2O9

Carbonylbis[(3-exo)-8-azabicyclo[3.2.1]octane-8,3-diyl] bis(3,4-dimethoxybenzoate)

  • Molecular FormulaC33H40N2O9
  • Average mass608.679 Da
  • Monoisotopic mass608.273376 Da
  • ChemSpider ID22875045

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Benzoic acid, 3,4-dimethoxy-, carbonylbis[(3-exo)-8-azabicyclo[3.2.1]octane-8,3-diyl] ester [ACD/Index Name]
Bis(3,4-diméthoxybenzoate) de carbonylbis[(3-exo)-8-azabicyclo[3.2.1]octane-8,3-diyle] [French] [ACD/IUPAC Name]
Carbonylbis[(3-exo)-8-azabicyclo[3.2.1]octan-8,3-diyl]-bis(3,4-dimethoxybenzoat) [German] [ACD/IUPAC Name]
Carbonylbis[(3-exo)-8-azabicyclo[3.2.1]octane-8,3-diyl] bis(3,4-dimethoxybenzoate) [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: 723.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.7±3.0 kJ/mol
    Flash Point: 391.3±32.9 °C
    Index of Refraction: 1.613
    Molar Refractivity: 158.9±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 5.70
    ACD/LogD (pH 5.5): 5.08
    ACD/BCF (pH 5.5): 4241.76
    ACD/KOC (pH 5.5): 13746.46
    ACD/LogD (pH 7.4): 5.08
    ACD/BCF (pH 7.4): 4241.76
    ACD/KOC (pH 7.4): 13746.46
    Polar Surface Area: 113 Å2
    Polarizability: 63.0±0.5 10-24cm3
    Surface Tension: 60.3±5.0 dyne/cm
    Molar Volume: 456.5±5.0 cm3

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