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Search term: 2202-17-7 (Found by approved synonym)
ChemSpider 2D Image | O-Methyldauricine | C39H46N2O6

O-Methyldauricine

  • Molecular FormulaC39H46N2O6
  • Average mass638.792 Da
  • Monoisotopic mass638.335571 Da
  • ChemSpider ID173580

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(-)-O-Methyldauricine
(1R)-1-[4-(5-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}-2-methoxyphenoxy)benzyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1R)-1-[4-(5-{[(1R)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}-2-méthoxyphénoxy)benzyl]-6,7-diméthoxy-2-méthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1R)-1-[4-(5-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-methoxyphenoxy)benzyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
(1R)-1-[4-(5-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenoxy)benzyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
2202-17-7 [RN]
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-[[4-[2-methoxy-5-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-2-methyl-, (1R)- [ACD/Index Name]
O-Methyldauricine
(1R)-1-[4-(5-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenoxy)benzyl]-6,7-dimethoxy-2-methy
(1R)-1-{[3-(4-{[(1R)-6,7-DIMETHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]METHYL}PHENOXY)-4-METHOXYPHENYL]METHYL}-6,7-DIMETHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLINE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 717.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±3.0 kJ/mol
    Flash Point: 173.2±30.1 °C
    Index of Refraction: 1.586
    Molar Refractivity: 185.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 6.26
    ACD/LogD (pH 5.5): 2.03
    ACD/BCF (pH 5.5): 2.30
    ACD/KOC (pH 5.5): 4.71
    ACD/LogD (pH 7.4): 4.86
    ACD/BCF (pH 7.4): 1560.21
    ACD/KOC (pH 7.4): 3190.66
    Polar Surface Area: 62 Å2
    Polarizability: 73.5±0.5 10-24cm3
    Surface Tension: 43.9±3.0 dyne/cm
    Molar Volume: 552.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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