ChemSpider 2D Image | Physcion 8-glucoside | C22H22O10

Physcion 8-glucoside

  • Molecular FormulaC22H22O10
  • Average mass446.404 Da
  • Monoisotopic mass446.121307 Da
  • ChemSpider ID23327231

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-hydroxy-3-methoxy-6-methyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
26296-54-8 [RN]
8-Hydroxy-6-methoxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl β-D-glucopyranoside [ACD/IUPAC Name]
8-Hydroxy-6-methoxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methoxy-3-methyl- [ACD/Index Name]
Physcion 1-O-β-D-glucoside
Physcion 8-glucoside
β-D-Glucopyranoside de 8-hydroxy-6-méthoxy-3-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
[26296-54-8] [RN]
1-Hydroxy-3-methoxy-6-methyl-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)anthracene-9,10-dione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 796.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 121.4±3.0 kJ/mol
    Flash Point: 280.3±26.4 °C
    Index of Refraction: 1.681
    Molar Refractivity: 107.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 1.72
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 2.78
    ACD/KOC (pH 5.5): 69.34
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.85
    Polar Surface Area: 163 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 81.0±3.0 dyne/cm
    Molar Volume: 284.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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