ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-{[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-methoxy-2-propanyl]oxy}-3,5-dimethoxyphenyl)-4H-chromen-4-one | C28H28O11

5,7-Dihydroxy-2-(4-{[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-methoxy-2-propanyl]oxy}-3,5-dimethoxyphenyl)-4H-chromen-4-one

  • Molecular FormulaC28H28O11
  • Average mass540.515 Da
  • Monoisotopic mass540.163147 Da
  • ChemSpider ID90657209

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-[[(1S,2S)-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)-2-methoxyethyl]oxy]-3,5-dimethoxyphenyl]- [ACD/Index Name]
5,7-Dihydroxy-2-(4-{[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-methoxy-2-propanyl]oxy}-3,5-dimethoxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-{[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-methoxy-2-propanyl]oxy}-3,5-dimethoxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-{[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-méthoxyphényl)-1-méthoxy-2-propanyl]oxy}-3,5-diméthoxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 813.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 271.1±27.8 °C
Index of Refraction: 1.635
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 131.23
ACD/KOC (pH 5.5): 1095.19
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 8.60
ACD/KOC (pH 7.4): 71.74
Polar Surface Area: 153 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 385.8±3.0 cm3

Click to predict properties on the Chemicalize site


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