ChemSpider 2D Image | 2''-O-Galloylhyperin | C28H24O16

2''-O-Galloylhyperin

  • Molecular FormulaC28H24O16
  • Average mass616.481 Da
  • Monoisotopic mass616.106445 Da
  • ChemSpider ID4955742

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5R,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
(2S,3R,4S,5R,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-(3,4,5-trihydroxybenzoyl)-β-D-galactopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-2-O-(3,4,5-trihydroxybenzoyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-(3,4,5-Trihydroxybenzoyl)-β-D-galactopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
2''-O-Galloylhyperin
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-β-D-galactopyranosyl]oxy]- [ACD/Index Name]
53209-27-1 [RN]
(2S,3R,4S,5R,6R)-2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate
[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
More...

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 1106.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 170.5±3.0 kJ/mol
    Flash Point: 365.6±27.8 °C
    Index of Refraction: 1.838
    Molar Refractivity: 140.2±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 10
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 3.61
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 7.59
    ACD/KOC (pH 5.5): 140.33
    ACD/LogD (pH 7.4): -0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.18
    Polar Surface Area: 273 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 150.2±5.0 dyne/cm
    Molar Volume: 317.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement