ChemSpider 2D Image | magnolin | C36H40N2O6

magnolin

  • Molecular FormulaC36H40N2O6
  • Average mass596.713 Da
  • Monoisotopic mass596.288635 Da
  • ChemSpider ID32698455

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R)-1-[4-(2-Hydroxy-5-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isochinolinol [German] [ACD/IUPAC Name]
(1R)-1-[4-(2-Hydroxy-5-{[(1S)-7-hydroxy-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}phénoxy)benzyl]-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinol [French] [ACD/IUPAC Name]
(1R)-1-[4-(2-Hydroxy-5-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol [ACD/IUPAC Name]
6859-66-1 [RN]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)- [ACD/Index Name]
Grisabutine
magnolin
(1R)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
53494-60-3 [RN]
Magnoline

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

850A38GCSI [DBID]
UNII:850A38GCSI [DBID]
UNII-850A38GCSI [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 738.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.5±3.0 kJ/mol
    Flash Point: 400.3±32.9 °C
    Index of Refraction: 1.638
    Molar Refractivity: 170.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.07
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.13
    ACD/LogD (pH 7.4): 3.65
    ACD/BCF (pH 7.4): 174.58
    ACD/KOC (pH 7.4): 611.41
    Polar Surface Area: 95 Å2
    Polarizability: 67.8±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 475.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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