ChemSpider 2D Image | 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl D-glucopyranoside | C21H24O10

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl D-glucopyranoside

  • Molecular FormulaC21H24O10
  • Average mass436.409 Da
  • Monoisotopic mass436.136932 Da
  • ChemSpider ID30208531

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-(D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 3,5-dihydroxy-2-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]
1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)-1-propanone
1-[2,4-dihydroxy-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Phloridzin [Wiki]
Phlorizin

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 770.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 117.6±3.0 kJ/mol
    Flash Point: 270.7±26.4 °C
    Index of Refraction: 1.686
    Molar Refractivity: 106.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 7
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 0.45
    ACD/LogD (pH 5.5): 0.62
    ACD/BCF (pH 5.5): 1.71
    ACD/KOC (pH 5.5): 50.62
    ACD/LogD (pH 7.4): 0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.82
    Polar Surface Area: 177 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 80.1±3.0 dyne/cm
    Molar Volume: 280.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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