ChemSpider 2D Image | Methyl {2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]phenoxy}acetate | C27H20O11

Methyl {2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]phenoxy}acetate

  • Molecular FormulaC27H20O11
  • Average mass520.441 Da
  • Monoisotopic mass520.100586 Da
  • ChemSpider ID30717015

More details:

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

{2-[2-(3,4-Dihydroxyphényl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromén-10-yl]phénoxy}acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[2-[2-(3,4-dihydroxyphenyl)-9,10-dihydro-3,5-dihydroxy-4,8-dioxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl]phenoxy]-, methyl ester [ACD/Index Name]
Methyl {2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]phenoxy}acetate [ACD/IUPAC Name]
Methyl-{2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-10-yl]phenoxy}acetat [German] [ACD/IUPAC Name]
1574353-30-2 [RN]
methyl 2-(2-(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-4,8,9,10-tetrahydropyrano[2,3-f]chromen-10-yl)phenoxy)acetate
methyl 2-[2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetate

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 742.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.7±3.0 kJ/mol
    Flash Point: 252.1±26.4 °C
    Index of Refraction: 1.704
    Molar Refractivity: 127.5±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 54.46
    ACD/KOC (pH 5.5): 535.18
    ACD/LogD (pH 7.4): 1.15
    ACD/BCF (pH 7.4): 1.73
    ACD/KOC (pH 7.4): 17.01
    Polar Surface Area: 169 Å2
    Polarizability: 50.5±0.5 10-24cm3
    Surface Tension: 80.2±3.0 dyne/cm
    Molar Volume: 328.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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