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Search term: WJHRLIAIIVRKTD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[4,5-Dihydroxy-2-(6-methyl-4-oxo-4H-pyran-2-yl)phenyl]-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one | C25H18O9

3-[4,5-Dihydroxy-2-(6-methyl-4-oxo-4H-pyran-2-yl)phenyl]-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one

  • Molecular FormulaC25H18O9
  • Average mass462.405 Da
  • Monoisotopic mass462.095093 Da
  • ChemSpider ID23298718

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 3-[4,5-dihydroxy-2-(6-methyl-4-oxo-4H-pyran-2-yl)phenyl]-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy- [ACD/Index Name]
3-[4,5-dihydroxy-2-(6-methyl-4-oxo-4H-pyran-2-yl)phenyl]-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2H-pyran-2-one
3-[4,5-Dihydroxy-2-(6-methyl-4-oxo-4H-pyran-2-yl)phenyl]-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-on [German] [ACD/IUPAC Name]
3-[4,5-Dihydroxy-2-(6-methyl-4-oxo-4H-pyran-2-yl)phenyl]-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one [ACD/IUPAC Name]
3-[4,5-Dihydroxy-2-(6-méthyl-4-oxo-4H-pyran-2-yl)phényl]-6-[(E)-2-(3,4-dihydroxyphényl)vinyl]-4-hydroxy-2H-pyran-2-one [French] [ACD/IUPAC Name]
(E)-2-(2-(6-(3,4-dihydroxystyryl)-4-hydroxy-2-oxo-2H-pyran-3-yl)-4,5-dihydroxyphenyl)-6-methyl-4H-pyran-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399199/
Inonoblin C

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

Density: 1.7±0.1 g/cm3
Boiling Point: 860.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 299.5±27.8 °C
Index of Refraction: 1.823
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 5.57
ACD/KOC (pH 5.5): 71.19
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 154 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 101.8±3.0 dyne/cm
Molar Volume: 278.9±3.0 cm3

Click to predict properties on the Chemicalize site


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