ChemSpider 2D Image | (2S)-2-(3-{4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenoxy}-4-hydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-one | C31H24O10

(2S)-2-(3-{4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenoxy}-4-hydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID8778237

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-(3-{4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenoxy}-4-hydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(3-{4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenoxy}-4-hydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-(3-{4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phénoxy}-4-hydroxyphényl)-5-hydroxy-7-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[4-[(2R)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]phenoxy]-4-hydroxyphenyl]-2,3-dihydro-5-hydroxy-7-methoxy-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 845.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 281.9±27.8 °C
Index of Refraction: 1.692
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8105.69
ACD/KOC (pH 5.5): 21655.08
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 1558.01
ACD/KOC (pH 7.4): 4162.37
Polar Surface Area: 152 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 70.5±3.0 dyne/cm
Molar Volume: 374.8±3.0 cm3

Click to predict properties on the Chemicalize site


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