ChemSpider 2D Image | 3-Hydroxy-6-(methoxymethyl)-2-[3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-4H-pyran-4-one | C30H32N2O8

3-Hydroxy-6-(methoxymethyl)-2-[3-oxo-3-(1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-4H-pyran-4-one

  • Molecular FormulaC30H32N2O8
  • Average mass548.584 Da
  • Monoisotopic mass548.215881 Da
  • ChemSpider ID32511563

More details:

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

3-Hydroxy-6-(methoxymethyl)-2-[3-oxo-3-(1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-Hydroxy-6-(methoxymethyl)-2-[3-oxo-3-(1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-4H-pyran-4-one [ACD/IUPAC Name]
3-Hydroxy-6-(méthoxyméthyl)-2-[3-oxo-3-(1,3,4,9-tétrahydro-2H-β-carbolin-2-yl)-1-(3,4,5-triméthoxyphényl)propyl]-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 3-hydroxy-6-(methoxymethyl)-2-[3-oxo-3-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-1-(3,4,5-trimethoxyphenyl)propyl]- [ACD/Index Name]
1630847-41-4 [RN]
3-hydroxy-6-(methoxymethyl)-2-[3-oxo-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(3,4,5-trimethoxyphenyl)propyl]pyran-4-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 789.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.4±3.0 kJ/mol
    Flash Point: 431.3±32.9 °C
    Index of Refraction: 1.640
    Molar Refractivity: 147.3±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.27
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 71.56
    ACD/KOC (pH 5.5): 739.05
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 54.21
    ACD/KOC (pH 7.4): 559.89
    Polar Surface Area: 120 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 59.5±3.0 dyne/cm
    Molar Volume: 409.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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