ChemSpider 2D Image | Dauricine | C38H44N2O6

Dauricine

  • Molecular FormulaC38H44N2O6
  • Average mass624.766 Da
  • Monoisotopic mass624.319946 Da
  • ChemSpider ID24534094

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}-2-(4-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}phenoxy)phenol [German] [ACD/IUPAC Name]
4-{[(1R)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}-2-(4-{[(1S)-6,7-diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}phénoxy)phénol [French] [ACD/IUPAC Name]
4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-(4-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)phenol [ACD/IUPAC Name]
4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(4-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)phenol
Dauricine
Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[4-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]- [ACD/Index Name]
[524-17-4] [RN]
4-[[(1R)-6,7-Dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol
4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoq
MFCD26960929 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 712.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.9±3.0 kJ/mol
    Flash Point: 384.6±32.9 °C
    Index of Refraction: 1.601
    Molar Refractivity: 180.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.61
    ACD/LogD (pH 5.5): 1.65
    ACD/BCF (pH 5.5): 1.17
    ACD/KOC (pH 5.5): 2.91
    ACD/LogD (pH 7.4): 4.47
    ACD/BCF (pH 7.4): 783.60
    ACD/KOC (pH 7.4): 1940.78
    Polar Surface Area: 73 Å2
    Polarizability: 71.6±0.5 10-24cm3
    Surface Tension: 46.8±3.0 dyne/cm
    Molar Volume: 526.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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