ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-L-arabinopyranosyl-D-glucopyranoside | C26H28O16

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-L-arabinopyranosyl-D-glucopyranoside

  • Molecular FormulaC26H28O16
  • Average mass596.491 Da
  • Monoisotopic mass596.137756 Da
  • ChemSpider ID17466521

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-L-arabinopyranosyl-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl-6-O-L-arabinopyranosyl-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-O-L-arabinopyranosyl-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy- [ACD/Index Name]
6-O-L-Arabinopyranosyl-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-3,5-dihydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 983.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 150.1±3.0 kJ/mol
    Flash Point: 328.0±27.8 °C
    Index of Refraction: 1.783
    Molar Refractivity: 133.6±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 10
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): -0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.29
    ACD/LogD (pH 7.4): -2.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 266 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 133.8±5.0 dyne/cm
    Molar Volume: 317.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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