ChemSpider 2D Image | mucusisoflavone B | C40H32O10

mucusisoflavone B

  • Molecular FormulaC40H32O10
  • Average mass672.676 Da
  • Monoisotopic mass672.199524 Da
  • ChemSpider ID26633040

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2'R,4'S)-2'-{(E)-2-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxyphenyl]vinyl}-5,7-dihydroxy-2'-methyl-4'-(2-methyl-1-propen-1-yl)-3',4'-dihydro-2'H,4H-3,6'-bichromen-4-on [German] [ACD/IUPAC Name]
(2'R,4'S)-2'-{(E)-2-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxyphenyl]vinyl}-5,7-dihydroxy-2'-methyl-4'-(2-methyl-1-propen-1-yl)-3',4'-dihydro-2'H,4H-3,6'-bichromen-4-one [ACD/IUPAC Name]
(2'R,4'S)-2'-{(E)-2-[5-(5,7-Dihydroxy-4-oxo-4H-chromén-3-yl)-2-hydroxyphényl]vinyl}-5,7-dihydroxy-2'-méthyl-4'-(2-méthyl-1-propén-1-yl)-3',4'-dihydro-2'H,4H-3,6'-bichromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[3-[(E)-2-[(2'R,4'S)-2',3'-dihydro-5,7-dihydroxy-2'-methyl-4'-(2-methyl-1-propen-1-yl)-4-oxo[3,6'-bi-4H-1-benzopyran]-2'-yl]ethenyl]-4-hydroxyphenyl]-5,7-dihydroxy- [ACD/Index Name]
mucusisoflavone B
rel-(2'R,4'S)-2'-{(E)-2-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2-hydroxyphenyl]ethenyl}-5,7-dihydroxy-2'-methyl-4'-(2-methylprop-1-en-1-yl)-3',4'-dihydro-2'H,4H-[3,6'-bi-1-benzopyran]-4-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 908.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 286.0±27.8 °C
Index of Refraction: 1.777
Molar Refractivity: 187.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 9.71
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 419073.44
ACD/KOC (pH 5.5): 337578.03
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 1679.98
ACD/KOC (pH 7.4): 1353.29
Polar Surface Area: 163 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 447.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement