ChemSpider 2D Image | 3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl alpha-L-gulopyranoside | C21H24O9

3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl α-L-gulopyranoside

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID30208535

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl α-L-gulopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-[(4-methoxyphenyl)acetyl]phenyl-α-L-gulopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[4-(α-L-gulopyranosyloxy)-2-hydroxyphenyl]-2-(4-methoxyphenyl)- [ACD/Index Name]
α-L-Gulopyranoside de 3-hydroxy-4-[2-(4-méthoxyphényl)acétyl]phényle [French] [ACD/IUPAC Name]
1-[2-hydroxy-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone
Onospin

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 697.5±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: 245.4±25.0 °C
    Index of Refraction: 1.641
    Molar Refractivity: 105.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 0.93
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.13
    ACD/KOC (pH 5.5): 78.50
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.45
    ACD/KOC (pH 7.4): 36.28
    Polar Surface Area: 146 Å2
    Polarizability: 41.6±0.5 10-24cm3
    Surface Tension: 64.8±3.0 dyne/cm
    Molar Volume: 291.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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