ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-10-{3-[(4-isopropylbenzyl)oxy]phenyl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-4,8-dione | C34H28O9

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-10-{3-[(4-isopropylbenzyl)oxy]phenyl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-4,8-dione

  • Molecular FormulaC34H28O9
  • Average mass580.581 Da
  • Monoisotopic mass580.173340 Da
  • ChemSpider ID30717586

More details:

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

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-10-{3-[(4-isopropylbenzyl)oxy]phenyl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4,8-dion [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-10-{3-[(4-isopropylbenzyl)oxy]phenyl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-4,8-dione [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3,5-dihydroxy-10-{3-[(4-isopropylbenzyl)oxy]phényl}-9,10-dihydro-4H,8H-pyrano[2,3-f]chromène-4,8-dione [French] [ACD/IUPAC Name]
4H,8H-Benzo[1,2-b:3,4-b']dipyran-4,8-dione, 2-(3,4-dihydroxyphenyl)-9,10-dihydro-3,5-dihydroxy-10-[3-[[4-(1-methylethyl)phenyl]methoxy]phenyl]- [ACD/Index Name]
1574379-10-4 [RN]
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-((4-isopropylbenzyl)oxy)phenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-[3-[(4-propan-2-ylphenyl)methoxy]phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 787.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.1±3.0 kJ/mol
    Flash Point: 255.4±26.4 °C
    Index of Refraction: 1.697
    Molar Refractivity: 155.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.82
    ACD/LogD (pH 5.5): 5.56
    ACD/BCF (pH 5.5): 8868.74
    ACD/KOC (pH 5.5): 20458.76
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 278.81
    ACD/KOC (pH 7.4): 643.17
    Polar Surface Area: 143 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 70.7±3.0 dyne/cm
    Molar Volume: 402.9±3.0 cm3

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