ChemSpider 2D Image | 3-Hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-threo-hexopyranoside | C21H24O9

3-Hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl β-D-threo-hexopyranoside

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID58780926

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-(β-D-threo-hexopyranosyloxy)-6-hydroxyphenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
3-Hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl β-D-threo-hexopyranoside [ACD/IUPAC Name]
3-Hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-thréo-Hexopyranoside de 3-hydroxy-2-[3-(4-hydroxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]
3-(4-hydroxyphenyl)-1-[2-hydroxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
4319-68-0 [RN]
4-deoxyphlorizin

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 725.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.2±3.0 kJ/mol
    Flash Point: 255.7±26.4 °C
    Index of Refraction: 1.666
    Molar Refractivity: 104.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 6
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 0.50
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 2.41
    ACD/KOC (pH 5.5): 65.01
    ACD/LogD (pH 7.4): 0.51
    ACD/BCF (pH 7.4): 1.21
    ACD/KOC (pH 7.4): 32.63
    Polar Surface Area: 157 Å2
    Polarizability: 41.6±0.5 10-24cm3
    Surface Tension: 72.9±3.0 dyne/cm
    Molar Volume: 282.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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