ChemSpider 2D Image | Liensinine | C37H42N2O6

Liensinine

  • Molecular FormulaC37H42N2O6
  • Average mass610.739 Da
  • Monoisotopic mass610.304260 Da
  • ChemSpider ID141157

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2586-96-1 [RN]
4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}phenol [German] [ACD/IUPAC Name]
4-{[(1R)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}phénol [French] [ACD/IUPAC Name]
4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol [ACD/IUPAC Name]
4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}phenol
Liensinine
Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]- [ACD/Index Name]
[2586-96-1] [RN]
[R-(R*,R*)]-4-[(1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-2-[[1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]
2385-63-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS226949 [DBID]
AIDS-226949 [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: 722.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.2±3.0 kJ/mol
    Flash Point: 390.4±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: 1
    ACD/LogP: 4.84
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.38
    ACD/LogD (pH 7.4): 3.88
    ACD/BCF (pH 7.4): 282.54
    ACD/KOC (pH 7.4): 946.64
    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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