ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-beta-D-glucopyranosyl)-alpha-L-mannopyranoside | C27H30O15

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID58802469

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-(6-Désoxy-β-D-glucopyranosyl)-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
40437-72-7 [RN]
4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-(6-desoxy-β-D-glucopyranosyl)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
3-(((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
KAEMPEEROL-3-O-GLUCORHAMNOSIDE
kaempferol 3-glucorhamnoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 945.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 144.2±3.0 kJ/mol
    Flash Point: 314.1±27.8 °C
    Index of Refraction: 1.744
    Molar Refractivity: 136.6±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 9
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 26.78
    ACD/LogD (pH 7.4): -1.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.02
    Polar Surface Area: 245 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 114.0±5.0 dyne/cm
    Molar Volume: 337.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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