ChemSpider 2D Image | Eupatolin | C23H24O12

Eupatolin

  • Molecular FormulaC23H24O12
  • Average mass492.430 Da
  • Monoisotopic mass492.126770 Da
  • ChemSpider ID64858338

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
29725-50-6 [RN]
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy- [ACD/Index Name]
6-Désoxy-α-L-mannopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-6,7-diméthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Eupatolin [Wiki]
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 813.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 123.9±3.0 kJ/mol
    Flash Point: 280.9±27.8 °C
    Index of Refraction: 1.709
    Molar Refractivity: 115.7±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 2.44
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 3.37
    ACD/KOC (pH 5.5): 76.57
    ACD/LogD (pH 7.4): -0.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.76
    Polar Surface Area: 185 Å2
    Polarizability: 45.8±0.5 10-24cm3
    Surface Tension: 95.9±5.0 dyne/cm
    Molar Volume: 296.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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