ChemSpider 2D Image | 4-(3,5,7-Trihydroxy-4-oxo-4H-chromen-2-yl)phenyl D-glucopyranoside | C21H20O11

4-(3,5,7-Trihydroxy-4-oxo-4H-chromen-2-yl)phenyl D-glucopyranoside

  • Molecular FormulaC21H20O11
  • Average mass448.377 Da
  • Monoisotopic mass448.100555 Da
  • ChemSpider ID58801472

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-(3,5,7-Trihydroxy-4-oxo-4H-chromen-2-yl)phenyl D-glucopyranoside [ACD/IUPAC Name]
4-(3,5,7-Trihydroxy-4-oxo-4H-chromen-2-yl)phenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(D-glucopyranosyloxy)phenyl]-3,5,7-trihydroxy- [ACD/Index Name]
D-Glucopyranoside de 4-(3,5,7-trihydroxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
3,5,7-trihydroxy-2-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
52222-74-9 [RN]
kaempferol 4-o-glucoside
kaempferol-4???-glucoside; kaempferol-4???-o-??-d-glucopyranoside
kaempferol-4-glucoside
MFCD27951973

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 784.5±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: 277.9±26.4 °C
    Index of Refraction: 1.751
    Molar Refractivity: 105.3±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 7
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -0.06
    ACD/LogD (pH 5.5): -0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.89
    ACD/LogD (pH 7.4): -1.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 186 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 105.3±3.0 dyne/cm
    Molar Volume: 258.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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