ChemSpider 2D Image | mucusisoflavone A | C40H32O10

mucusisoflavone A

  • Molecular FormulaC40H32O10
  • Average mass672.676 Da
  • Monoisotopic mass672.199524 Da
  • ChemSpider ID26632447
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-{3-[(E)-2-{(1S,2S)-2-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxyphenyl]-1,4-dimethyl-3-cyclohexen-1-yl}vinyl]-4-hydroxyphenyl}-5,7-dihydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-{3-[(E)-2-{(1S,2S)-2-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxyphenyl]-1,4-dimethyl-3-cyclohexen-1-yl}vinyl]-4-hydroxyphenyl}-5,7-dihydroxy-4H-chromen-4-one [ACD/IUPAC Name]
3-{3-[(E)-2-{(1S,2S)-2-[5-(5,7-Dihydroxy-4-oxo-4H-chromén-3-yl)-2-hydroxyphényl]-1,4-diméthyl-3-cyclohexén-1-yl}vinyl]-4-hydroxyphényl}-5,7-dihydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[3-[(E)-2-[(1S,2S)-2-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2-hydroxyphenyl]-1,4-dimethyl-3-cyclohexen-1-yl]ethenyl]-4-hydroxyphenyl]-5,7-dihydroxy- [ACD/Index Name]
mucusisoflavone A
rel-3-(3-{(E)-2-[(1S,2S)-5'-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2'-hydroxy-2,5-dimethyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-2-yl]ethenyl}-4-hydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 904.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.0±3.0 kJ/mol
Flash Point: 284.7±27.8 °C
Index of Refraction: 1.765
Molar Refractivity: 185.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 9.54
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 238801.20
ACD/KOC (pH 5.5): 223956.64
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 784.89
ACD/KOC (pH 7.4): 736.10
Polar Surface Area: 174 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 448.7±3.0 cm3

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