ChemSpider 2D Image | Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis{3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate} | C32H32O14

Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis{3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate}

  • Molecular FormulaC32H32O14
  • Average mass640.588 Da
  • Monoisotopic mass640.179199 Da
  • ChemSpider ID34496996

More details:

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

1,4-Cyclohexadiene-1,4-dipropanoic acid, 2,5-dihydroxy-β,β'-bis[4-(2-methoxy-2-oxoethoxy)phenyl]-3,6-dioxo-, dimethyl ester [ACD/Index Name]
3,3'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiène-1,4-diyl)bis{3-[4-(2-méthoxy-2-oxoéthoxy)phényl]propanoate} de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis{3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate} [ACD/IUPAC Name]
Dimethyl-3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)bis{3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoat} [German] [ACD/IUPAC Name]
1676081-80-3 [RN]
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(3-(4-(2-methoxy-2-oxoethoxy)phenyl)propanoate)
methyl 3-[2,5-dihydroxy-4-[3-methoxy-1-[4-(2-methoxy-2-oxoethoxy)phenyl]-3-oxopropyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 784.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 119.7±3.0 kJ/mol
    Flash Point: 247.7±26.4 °C
    Index of Refraction: 1.596
    Molar Refractivity: 155.4±0.3 cm3
    #H bond acceptors: 14
    #H bond donors: 2
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 2
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): -1.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 198 Å2
    Polarizability: 61.6±0.5 10-24cm3
    Surface Tension: 63.3±3.0 dyne/cm
    Molar Volume: 457.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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