ChemSpider 2D Image | Neferin | C38H44N2O6

Neferin

  • Molecular FormulaC38H44N2O6
  • Average mass624.766 Da
  • Monoisotopic mass624.319946 Da
  • ChemSpider ID49073109

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(-)-Neferine
2292-16-2 [RN]
4-[[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]-phenol
4-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}-2-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}phenol [German] [ACD/IUPAC Name]
4-{[(1S)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}-2-{[(1R)-6-méthoxy-1-(4-méthoxybenzyl)-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}phénol [French] [ACD/IUPAC Name]
4-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol [ACD/IUPAC Name]
4''-O-Methylliensinine
Methylliensinine
MFCD22416529
Neferin
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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: 710.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.7±3.0 kJ/mol
    Flash Point: 383.8±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: 5.49
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 1.15
    ACD/KOC (pH 5.5): 2.90
    ACD/LogD (pH 7.4): 4.49
    ACD/BCF (pH 7.4): 847.53
    ACD/KOC (pH 7.4): 2145.95
    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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