ChemSpider 2D Image | (2S)-8-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one | C30H22O10

(2S)-8-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID28425512

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-8-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-8-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-8-{5-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-2-hydroxyphényl}-5,7-dihydroxy-2-(4-hydroxyphényl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-[5-[(2S)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2-hydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)- [ACD/Index Name]
48236-96-0 [RN]
5,7,4',5'',7'',4'''-hexahydroxy-2,3,2'',3''-tetrahydroamentoflavone
Tetrahydroamentoflavone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 932.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.3±3.0 kJ/mol
Flash Point: 314.3±27.8 °C
Index of Refraction: 1.745
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1547.80
ACD/KOC (pH 5.5): 6529.06
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 95.48
ACD/KOC (pH 7.4): 402.75
Polar Surface Area: 174 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 84.4±3.0 dyne/cm
Molar Volume: 342.4±3.0 cm3

Click to predict properties on the Chemicalize site


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