ChemSpider 2D Image | 4,5-Bis(heptanoylamino)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diheptanoate | C42H58N2O8

4,5-Bis(heptanoylamino)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diheptanoate

  • Molecular FormulaC42H58N2O8
  • Average mass718.919 Da
  • Monoisotopic mass718.419312 Da
  • ChemSpider ID2839026

More details:

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

4,5-Bis(heptanoylamino)-9,10-dioxo-9,10-dihydroanthracen-1,8-diyl-diheptanoat [German] [ACD/IUPAC Name]
4,5-Bis(heptanoylamino)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diheptanoate [ACD/IUPAC Name]
Diheptanoate de 4,5-bis(heptanoylamino)-9,10-dioxo-9,10-dihydroanthracène-1,8-diyle [French] [ACD/IUPAC Name]
Heptanoic acid, 9,10-dihydro-9,10-dioxo-4,5-bis[(1-oxoheptyl)amino]-1,8-anthracenediyl ester [ACD/Index Name]
[4,5-bis(heptanoylamino)-8-heptanoyloxy-9,10-dioxoanthracen-1-yl] heptanoate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 880.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.0±3.0 kJ/mol
    Flash Point: 486.3±34.3 °C
    Index of Refraction: 1.555
    Molar Refractivity: 202.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 26
    #Rule of 5 Violations: 3
    ACD/LogP: 10.77
    ACD/LogD (pH 5.5): 10.74
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 10.74
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 145 Å2
    Polarizability: 80.3±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 630.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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