ChemSpider 2D Image | (2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl beta-D-glucopyranoside | C21H22O11

(2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl β-D-glucopyranoside

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID58802116

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 6-(β-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)- [ACD/Index Name]
β-D-Glucopyranoside de (2S)-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
866885-42-9 [RN]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 839.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 127.8±3.0 kJ/mol
    Flash Point: 296.3±27.8 °C
    Index of Refraction: 1.713
    Molar Refractivity: 106.0±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 7
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -0.10
    ACD/LogD (pH 5.5): 0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 26.68
    ACD/LogD (pH 7.4): -1.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.75
    Polar Surface Area: 186 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 94.6±3.0 dyne/cm
    Molar Volume: 270.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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