ChemSpider 2D Image | 6-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-5-methyl-3-(2-naphthyl)-7H-furo[3,2-g]chromen-7-one | C33H31NO5

6-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-5-methyl-3-(2-naphthyl)-7H-furo[3,2-g]chromen-7-one

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID17466160

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isochinolinyl]-2-oxoethyl}-5-methyl-3-(2-naphthyl)-7H-furo[3,2-g]chromen-7-on [German] [ACD/IUPAC Name]
6-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinoléinyl]-2-oxoéthyl}-5-méthyl-3-(2-naphtyl)-7H-furo[3,2-g]chromén-7-one [French] [ACD/IUPAC Name]
6-{2-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-5-methyl-3-(2-naphthyl)-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 5-methyl-3-(2-naphthalenyl)-6-[2-[(4aS,8aS)-octahydro-4a-hydroxy-2(1H)-isoquinolinyl]-2-oxoethyl]- [ACD/Index Name]
1212367-66-2 [RN]
6-[2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-5-methyl-3-naphthalen-2-ylfuro[3,2-g]chromen-7-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 759.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.1±3.0 kJ/mol
    Flash Point: 413.3±32.9 °C
    Index of Refraction: 1.671
    Molar Refractivity: 148.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 6.76
    ACD/LogD (pH 5.5): 5.92
    ACD/BCF (pH 5.5): 18665.17
    ACD/KOC (pH 5.5): 39700.05
    ACD/LogD (pH 7.4): 5.92
    ACD/BCF (pH 7.4): 18665.17
    ACD/KOC (pH 7.4): 39700.05
    Polar Surface Area: 80 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 58.4±3.0 dyne/cm
    Molar Volume: 397.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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