ChemSpider 2D Image | 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl beta-D-glucopyranoside | C27H30O17

3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl β-D-glucopyranoside

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID58802270

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,6-bis(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
β-D-Glucopyranoside de 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]
142674-16-6 [RN]
5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
6-hydroxykaempferol 3,6-diglucoside

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 1049.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 160.8±3.0 kJ/mol
    Flash Point: 345.6±27.8 °C
    Index of Refraction: 1.785
    Molar Refractivity: 139.7±0.4 cm3
    #H bond acceptors: 17
    #H bond donors: 11
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: -1.28
    ACD/LogD (pH 5.5): -2.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.09
    ACD/LogD (pH 7.4): -4.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 286 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 137.6±5.0 dyne/cm
    Molar Volume: 331.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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