ChemSpider 2D Image | 6,6',7,12-Tetramethoxy-2-methyl-1',2'-didehydroberbaman-5-ol | C37H38N2O7

6,6',7,12-Tetramethoxy-2-methyl-1',2'-didehydroberbaman-5-ol

  • Molecular FormulaC37H38N2O7
  • Average mass622.707 Da
  • Monoisotopic mass622.267883 Da
  • ChemSpider ID17461947

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6,6',7,12-Tetramethoxy-2-methyl-1',2'-didehydroberbaman-5-ol [ACD/IUPAC Name]
6,6',7,12-Tetramethoxy-2-methyl-1',2'-didehydroberbaman-5-ol [German] [ACD/IUPAC Name]
6,6',7,12-Tétraméthoxy-2-méthyl-1',2'-didéhydroberbaman-5-ol [French] [ACD/IUPAC Name]
1212467-15-6 [RN]
MCULE-5094356852
MolPort-001-728-110
STOCK1N-17409

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 754.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.8±3.0 kJ/mol
    Flash Point: 410.1±32.9 °C
    Index of Refraction: 1.637
    Molar Refractivity: 170.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 16.27
    ACD/KOC (pH 5.5): 99.23
    ACD/LogD (pH 7.4): 3.73
    ACD/BCF (pH 7.4): 384.77
    ACD/KOC (pH 7.4): 2346.74
    Polar Surface Area: 91 Å2
    Polarizability: 67.6±0.5 10-24cm3
    Surface Tension: 46.0±7.0 dyne/cm
    Molar Volume: 474.7±7.0 cm3

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