ChemSpider 2D Image | 2,2'-[(2,4,5-Trimethoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one] | C22H22O11

2,2'-[(2,4,5-Trimethoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one]

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID29771139

More details:

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

2,2'-[(2,4,5-Trimethoxyphenyl)methylen]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-on] [German] [ACD/IUPAC Name]
2,2'-[(2,4,5-Trimethoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one] [ACD/IUPAC Name]
2,2'-[(2,4,5-Triméthoxyphényl)méthylène]bis[3-hydroxy-6-(hydroxyméthyl)-4H-pyran-4-one] [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,2'-[(2,4,5-trimethoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)- [ACD/Index Name]
1574477-65-8 [RN]
3-hydroxy-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-(2,4,5-trimethoxyphenyl)methyl]-6-(hydroxymethyl)pyran-4-one

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 808.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 123.2±3.0 kJ/mol
    Flash Point: 282.1±27.8 °C
    Index of Refraction: 1.650
    Molar Refractivity: 110.8±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): -0.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.75
    ACD/LogD (pH 7.4): -0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.90
    Polar Surface Area: 161 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 72.5±3.0 dyne/cm
    Molar Volume: 303.8±3.0 cm3

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