ChemSpider 2D Image | daurisoline | C37H42N2O6

daurisoline

  • Molecular FormulaC37H42N2O6
  • Average mass610.739 Da
  • Monoisotopic mass610.304260 Da
  • ChemSpider ID46313

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R)-1-[3-(4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}phenoxy)-4-hydroxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isochinolinol [German] [ACD/IUPAC Name]
(1R)-1-[3-(4-{[(1R)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}phénoxy)-4-hydroxybenzyl]-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinol [French] [ACD/IUPAC Name]
(1R)-1-[3-(4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-4-hydroxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol [ACD/IUPAC Name]
(1R)-1-[3-(4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-4-hydroxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
(1R)-1-{[3-(4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-4-hydroxyphenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
(1R)-1-{[3-(4-{[(1R)-6,7-DIMETHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]METHYL}PHENOXY)-4-HYDROXYPHENYL]METHYL}-6-METHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-7-OL
70553-76-3 [RN]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)- [ACD/Index Name]
daurisoline
(1R)-1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D 610 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 724.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.6±3.0 kJ/mol
    Flash Point: 392.0±32.9 °C
    Index of Refraction: 1.618
    Molar Refractivity: 175.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.84
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.37
    ACD/LogD (pH 7.4): 4.28
    ACD/BCF (pH 7.4): 542.38
    ACD/KOC (pH 7.4): 1433.99
    Polar Surface Area: 84 Å2
    Polarizability: 69.7±0.5 10-24cm3
    Surface Tension: 50.3±3.0 dyne/cm
    Molar Volume: 501.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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