ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | C22H18O11

2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC22H18O11
  • Average mass458.372 Da
  • Monoisotopic mass458.084900 Da
  • ChemSpider ID74852119

More details:






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

2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de 2-(3,4-dihydroxyphényl)-5,6,7-trihydroxy-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,6,7-trihydroxy-2H-1-benzopyran-3-yl ester [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 900.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 317.2±27.8 °C
Index of Refraction: 1.857
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.05
ACD/KOC (pH 5.5): 206.31
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 7.52
ACD/KOC (pH 7.4): 128.73
Polar Surface Area: 197 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 149.7±5.0 dyne/cm
Molar Volume: 241.2±5.0 cm3

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