ChemSpider 2D Image | 5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 3,4,5-trimethoxybenzoate | C25H20O12

5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC25H20O12
  • Average mass512.419 Da
  • Monoisotopic mass512.095459 Da
  • ChemSpider ID9927313

More details:

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

3,4,5-Triméthoxybenzoate de 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-3-yle [French] [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-3-yl ester [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: 833.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 286.0±27.8 °C
Index of Refraction: 1.739
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 59.89
ACD/KOC (pH 5.5): 575.80
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 9.85
Polar Surface Area: 181 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 100.5±5.0 dyne/cm
Molar Volume: 304.3±5.0 cm3

Click to predict properties on the Chemicalize site


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