Found 132 results

Search term: MF = 'C_{32}H_{39}NO_{5}'
ChemSpider 2D Image | 3-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-methyl-7-{[4-(2-methyl-2-propanyl)benzyl]oxy}-2H-chromen-2-one | C32H39NO5

3-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-methyl-7-{[4-(2-methyl-2-propanyl)benzyl]oxy}-2H-chromen-2-one

  • Molecular FormulaC32H39NO5
  • Average mass517.656 Da
  • Monoisotopic mass517.282837 Da
  • ChemSpider ID17465873

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-[[4-(1,1-dimethylethyl)phenyl]methoxy]-4-methyl-3-[2-[(4aS,8aS)-octahydro-4a-hydroxy-2(1H)-isoquinolinyl]-2-oxoethyl]- [ACD/Index Name]
3-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isochinolinyl]-2-oxoethyl}-4-methyl-7-{[4-(2-methyl-2-propanyl)benzyl]oxy}-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinoléinyl]-2-oxoéthyl}-4-méthyl-7-{[4-(2-méthyl-2-propanyl)benzyl]oxy}-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-methyl-7-{[4-(2-methyl-2-propanyl)benzyl]oxy}-2H-chromen-2-one [ACD/IUPAC Name]
1212182-17-6 [RN]
3-[2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-7-[(4-tert-butylphenyl)methoxy]-4-methylchromen-2-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 699.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.5±3.0 kJ/mol
    Flash Point: 376.6±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 145.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.60
    ACD/LogD (pH 5.5): 6.37
    ACD/BCF (pH 5.5): 41106.56
    ACD/KOC (pH 5.5): 69858.72
    ACD/LogD (pH 7.4): 6.37
    ACD/BCF (pH 7.4): 41106.56
    ACD/KOC (pH 7.4): 69858.72
    Polar Surface Area: 76 Å2
    Polarizability: 57.8±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 433.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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