ChemSpider 2D Image | Apigenin-8-C-glucoside | C27H30O14

Apigenin-8-C-glucoside

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID16736533

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2-O-(6-deoxy-β-D-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-desoxy-β-D-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-désoxy-β-D-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yl]-D-glucitol
(1S)-1,5-Anhydro-2-O-(6-désoxy-β-D-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
64820-99-1 [RN]
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
8-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-on
8-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
8-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxyméthyl)-3-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphényl)-4H-chromén-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 898.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 136.9±3.0 kJ/mol
    Flash Point: 299.5±27.8 °C
    Index of Refraction: 1.751
    Molar Refractivity: 135.1±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 9
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 0.50
    ACD/BCF (pH 5.5): 1.34
    ACD/KOC (pH 5.5): 40.76
    ACD/LogD (pH 7.4): -1.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.25
    Polar Surface Area: 236 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 114.8±5.0 dyne/cm
    Molar Volume: 331.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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