ChemSpider 2D Image | 2-{2-[(2S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-3,6-dihydroxyphenyl}-5,7-dihydroxy-4H-chromen-4-one | C30H20O11

2-{2-[(2S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-3,6-dihydroxyphenyl}-5,7-dihydroxy-4H-chromen-4-one

  • Molecular FormulaC30H20O11
  • Average mass556.473 Da
  • Monoisotopic mass556.100586 Da
  • ChemSpider ID9766878

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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2-{2-[(2S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-3,6-dihydroxyphenyl}-5,7-dihydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{2-[(2S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-6-yl]-3,6-dihydroxyphenyl}-5,7-dihydroxy-4H-chromen-4-one [ACD/IUPAC Name]
2-{2-[(2S)-5,7-Dihydroxy-2-(2-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-6-yl]-3,6-dihydroxyphényl}-5,7-dihydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 6-[2-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-3,6-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-2-(2-hydroxyphenyl)-, (2S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 934.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 314.4±27.8 °C
Index of Refraction: 1.787
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 412.71
ACD/KOC (pH 5.5): 2344.45
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 6.68
Polar Surface Area: 194 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 95.7±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

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