ChemSpider 2D Image | 6"-O-Acetylisoquercitrin | C23H22O13

6"-O-Acetylisoquercitrin

  • Molecular FormulaC23H22O13
  • Average mass506.413 Da
  • Monoisotopic mass506.106049 Da
  • ChemSpider ID8181964

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index Name]
54542-51-7 [RN]
6"-O-Acetylisoquercitrin
6-O-Acétyl-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
iso-Quercitrin 6"-acetate
Quercetin 3-O-(6-O-acetyl-β-D-glucopyranoside)
Quercetin-3-O-glucose-6''-acetate
Quercetin-3-O-β-glucopyranosyl-6''-acetate
More...

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

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 848.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 129.2±3.0 kJ/mol
    Flash Point: 292.9±27.8 °C
    Index of Refraction: 1.746
    Molar Refractivity: 115.6±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 7
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 0.89
    ACD/BCF (pH 5.5): 2.63
    ACD/KOC (pH 5.5): 64.04
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.92
    Polar Surface Area: 213 Å2
    Polarizability: 45.8±0.5 10-24cm3
    Surface Tension: 114.1±5.0 dyne/cm
    Molar Volume: 284.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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