ChemSpider 2D Image | 7-Hydroxy-3,8-dimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl beta-D-glucopyranoside | C22H20O13

7-Hydroxy-3,8-dimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl β-D-glucopyranoside

  • Molecular FormulaC22H20O13
  • Average mass492.386 Da
  • Monoisotopic mass492.090393 Da
  • ChemSpider ID29814723

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-(β-D-glucopyranosyloxy)-7-hydroxy-3,8-dimethoxy- [ACD/Index Name]
7-Hydroxy-3,8-dimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
7-Hydroxy-3,8-dimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 7-hydroxy-3,8-diméthoxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-2-yle [French] [ACD/IUPAC Name]
51803-68-0 [RN]
MFCD28100302

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 887.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 135.1±3.0 kJ/mol
    Flash Point: 310.6±27.8 °C
    Index of Refraction: 1.705
    Molar Refractivity: 111.2±0.3 cm3
    #H bond acceptors: 13
    #H bond donors: 5
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: -0.83
    ACD/LogD (pH 5.5): 0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 26.81
    ACD/LogD (pH 7.4): -0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.95
    Polar Surface Area: 191 Å2
    Polarizability: 44.1±0.5 10-24cm3
    Surface Tension: 90.7±3.0 dyne/cm
    Molar Volume: 286.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement