ChemSpider 2D Image | 2,2'-[(4-Isopropoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one] | C22H22O9

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

  • Molecular FormulaC22H22O9
  • Average mass430.405 Da
  • Monoisotopic mass430.126373 Da
  • ChemSpider ID29771595

More details:

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

2,2'-[(4-Isopropoxyphenyl)methylen]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-on] [German] [ACD/IUPAC Name]
2,2'-[(4-Isopropoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one] [ACD/IUPAC Name]
2,2'-[(4-Isopropoxyphényl)méthylène]bis[3-hydroxy-6-(hydroxyméthyl)-4H-pyran-4-one] [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,2'-[[4-(1-methylethoxy)phenyl]methylene]bis[3-hydroxy-6-(hydroxymethyl)- [ACD/Index Name]
1574473-69-0 [RN]
3-hydroxy-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-(4-propan-2-yloxyphenyl)methyl]-6-(hydroxymethyl)pyran-4-one
3-HYDROXY-2-{[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXO-4H-PYRAN-2-YL][4-(PROPAN-2-YLOXY)PHENYL]METHYL}-6-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
3-HYDROXY-2-{[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXOPYRAN-2-YL](4-ISOPROPOXYPHENYL)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: 755.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.5±3.0 kJ/mol
    Flash Point: 265.5±26.4 °C
    Index of Refraction: 1.659
    Molar Refractivity: 106.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 0.58
    ACD/BCF (pH 5.5): 1.62
    ACD/KOC (pH 5.5): 49.06
    ACD/LogD (pH 7.4): 0.46
    ACD/BCF (pH 7.4): 1.24
    ACD/KOC (pH 7.4): 37.59
    Polar Surface Area: 143 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 73.7±3.0 dyne/cm
    Molar Volume: 289.2±3.0 cm3

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