ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-(6-deoxy-beta-D-gulopyranosyl)-beta-D-galactopyranoside | C27H30O16

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-(6-deoxy-β-D-gulopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID17461410

  • defined stereocentres - 10 of 10 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 4-O-(6-deoxy-β-D-gulopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-4-O-(6-desoxy-β-D-gulopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[4-O-(6-deoxy-β-D-gulopyranosyl)-β-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index Name]
4-O-(6-Désoxy-β-D-gulopyranosyl)-β-D-galactopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
3-[(2S,3R,4R,5R,6R)-3,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-[(2S,3R,4R,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXYOXAN-2-YL]OXY-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXYCHROMEN-4-ONE

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 987.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 150.8±3.0 kJ/mol
    Flash Point: 326.7±27.8 °C
    Index of Refraction: 1.765
    Molar Refractivity: 138.2±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 10
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 2.37
    ACD/LogD (pH 5.5): 0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.61
    ACD/LogD (pH 7.4): -1.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 266 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 125.2±5.0 dyne/cm
    Molar Volume: 334.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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