ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl (2xi)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-arabino-hexopyranoside | C27H32O14

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl (2ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-arabino-hexopyranoside

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID58777337

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2ξ)-2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-arabino-hexopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[(2ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-arabino-hexopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl (2ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-arabino-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-(2ξ)-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
10236-47-2 [RN]
7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
MFCD00148888 [MDL number]
Naringin [Wiki]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 928.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 141.4±3.0 kJ/mol
    Flash Point: 308.5±27.8 °C
    Index of Refraction: 1.708
    Molar Refractivity: 135.6±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 8
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 2.73
    ACD/LogD (pH 5.5): 0.38
    ACD/BCF (pH 5.5): 1.14
    ACD/KOC (pH 5.5): 38.03
    ACD/LogD (pH 7.4): -0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.21
    Polar Surface Area: 225 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 101.3±5.0 dyne/cm
    Molar Volume: 347.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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