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

  • Molecular FormulaC30H32N2O8
  • Average mass548.584 Da
  • Monoisotopic mass548.215881 Da
  • ChemSpider ID32510282

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-(2,4,5-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-(2,4,5-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-(2,4,5-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-(2,4,5-trimethoxyphenyl)propyl]- [ACD/Index Name]
1630848-79-1 [RN]
3-hydroxy-6-(methoxymethyl)-2-[3-oxo-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(2,4,5-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: 811.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 123.7±3.0 kJ/mol
    Flash Point: 444.7±34.3 °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: 3.42
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 126.26
    ACD/KOC (pH 5.5): 1109.61
    ACD/LogD (pH 7.4): 2.94
    ACD/BCF (pH 7.4): 94.37
    ACD/KOC (pH 7.4): 829.31
    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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