ChemSpider 2D Image | Kakkalide | C28H32O15

Kakkalide

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID4590337

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
58274-56-9 [RN]
5-Hydroxy-6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 5-hydroxy-6-méthoxy-3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Kakkalide
4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-((6-O-β-D-xylopranosyl-β-D-glucopyranosyl)oxy)-
5-Hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 902.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 137.4±3.0 kJ/mol
    Flash Point: 296.9±27.8 °C
    Index of Refraction: 1.693
    Molar Refractivity: 141.9±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 7
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): 0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.82
    ACD/LogD (pH 7.4): -1.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.25
    Polar Surface Area: 223 Å2
    Polarizability: 56.3±0.5 10-24cm3
    Surface Tension: 94.4±5.0 dyne/cm
    Molar Volume: 370.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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