ChemSpider 2D Image | Isoliensinine | C37H42N2O6

Isoliensinine

  • Molecular FormulaC37H42N2O6
  • Average mass610.739 Da
  • Monoisotopic mass610.304260 Da
  • ChemSpider ID4438880

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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(+)-Isoliensinine
(1R)-1-(4-Hydroxy-3-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isochinolinol [German] [ACD/IUPAC Name]
(1R)-1-(4-Hydroxy-3-{[(1R)-6-méthoxy-1-(4-méthoxybenzyl)-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}benzyl)-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinol [French] [ACD/IUPAC Name]
(1R)-1-(4-Hydroxy-3-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol [ACD/IUPAC Name]
(1R)-1-(4-Hydroxy-3-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
6817-41-0 [RN]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)- [ACD/Index Name]
Isoliensinine
(1R)-1-(4-hydroxy-3-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzyl)-6-methoxy-2-methyl-
(1R)-1-[(4-HYDROXY-3-{[(1R)-6-METHOXY-1-[(4-METHOXYPHENYL)METHYL]-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-7-YL]OXY}PHENYL)METHYL]-6-METHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-7-OL
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1029872-54-5,918504-65-1 [DBID]
AIDS226951 [DBID]
AIDS-226951 [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: 723.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.4±3.0 kJ/mol
    Flash Point: 391.1±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: 4.72
    ACD/LogD (pH 5.5): 0.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 3.62
    ACD/BCF (pH 7.4): 176.14
    ACD/KOC (pH 7.4): 670.24
    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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