ChemSpider 2D Image | Ononin | C22H22O9

Ononin

  • Molecular FormulaC22H22O9
  • Average mass430.405 Da
  • Monoisotopic mass430.126373 Da
  • ChemSpider ID21468791

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl D-glucopyranoside [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(D-glucopyranosyloxy)-3-(4-methoxyphenyl)- [ACD/Index Name]
D-Glucopyranoside de 3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Ononin [Wiki]
[486-62-4] [RN]
3-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
63067 [Beilstein]
Formononetin 7-O-β-D-glucopyranoside
formononetin-7-<i>O</i>-glucoside|formononetin 7-O-glucoside|formononetin 7-O-&β;-glucoside|formononetin-7-O-β-D-glucopyranoside|formononetin glucoside|3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 697.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.3±3.0 kJ/mol
    Flash Point: 245.7±25.0 °C
    Index of Refraction: 1.655
    Molar Refractivity: 106.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.63
    ACD/LogD (pH 5.5): 0.74
    ACD/BCF (pH 5.5): 2.14
    ACD/KOC (pH 5.5): 59.96
    ACD/LogD (pH 7.4): 0.74
    ACD/BCF (pH 7.4): 2.14
    ACD/KOC (pH 7.4): 59.96
    Polar Surface Area: 135 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 70.7±3.0 dyne/cm
    Molar Volume: 290.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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