ChemSpider 2D Image | pentaacetylquercetin | C25H20O12

pentaacetylquercetin

  • Molecular FormulaC25H20O12
  • Average mass512.419 Da
  • Monoisotopic mass512.095459 Da
  • ChemSpider ID13391

More details:

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

pentaacetylquercetin
[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-3-yl] acetate
1064-06-8 [RN]
2-(3,4-Diacetoxyphenyl)-4-oxo-4H-chromen-3,5,7-triyl-triacetat [German] [ACD/IUPAC Name]
2-(3,4-Diacetoxyphenyl)-4-oxo-4H-chromene-3,5,7-triyl triacetate [ACD/IUPAC Name]
2-(acetyloxy)-4-[3,5,7-tri(acetyloxy)-4-oxo-4H-chromen-2-yl]phenyl acetate
4H-1-Benzopyran-4-one, 3,5,7-tris(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]- [ACD/Index Name]
Peracetate Quercetin
Quercetin acetate
Quercetin pentaacetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 0380215 [DBID]
NSC 115919 [DBID]
NSC115919 [DBID]
NSC718503 [DBID]
ZINC05004614 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 666.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.0±3.0 kJ/mol
    Flash Point: 284.7±31.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 120.2±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 0.15
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 26.50
    ACD/KOC (pH 5.5): 363.43
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 26.50
    ACD/KOC (pH 7.4): 363.43
    Polar Surface Area: 158 Å2
    Polarizability: 47.6±0.5 10-24cm3
    Surface Tension: 64.0±5.0 dyne/cm
    Molar Volume: 351.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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