ChemSpider 2D Image | (2S)-2-(4-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy}phenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one | C30H22O10

(2S)-2-(4-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy}phenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID29361363

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-(4-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy}phenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(4-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy}phenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-(4-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-2-hydroxyphénoxy}phényl)-5,7-dihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-[5-[(2S)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2-hydroxyphenoxy]phenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)- [ACD/Index Name]
2,3,2"",3""-Tetrahydroochnaflavone
2,3,2'',3''-tetrahydroochnaflavone
678138-59-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 854.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 287.7±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3890.77
ACD/KOC (pH 5.5): 12783.38
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 590.07
ACD/KOC (pH 7.4): 1938.72
Polar Surface Area: 163 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 349.3±3.0 cm3

Click to predict properties on the Chemicalize site


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