ChemSpider 2D Image | 5-(3-{[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl}-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-1,2,3-benzenetriol | C31H28O12

5-(3-{[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl}-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-1,2,3-benzenetriol

  • Molecular FormulaC31H28O12
  • Average mass592.547 Da
  • Monoisotopic mass592.158081 Da
  • ChemSpider ID9562668

More details:

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

1,2,3-Benzenetriol, 5-[3-[[3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]methyl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2-yl]- [ACD/Index Name]
5-(3-{[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl}-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-1,2,3-benzenetriol [ACD/IUPAC Name]
5-(3-{[5,7-Dihydroxy-2-(3,4,5-trihydroxyphényl)-3,4-dihydro-2H-chromén-8-yl]méthyl}-5,7-dihydroxy-3,4-dihydro-2H-chromén-2-yl)-1,2,3-benzènetriol [French] [ACD/IUPAC Name]
5-(3-{[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl}-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-1,2,3-benzoltriol [German] [ACD/IUPAC 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: 1004.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.6±3.0 kJ/mol
Flash Point: 561.3±34.3 °C
Index of Refraction: 1.789
Molar Refractivity: 150.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.18
ACD/KOC (pH 5.5): 540.43
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.64
ACD/KOC (pH 7.4): 534.07
Polar Surface Area: 221 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 103.8±3.0 dyne/cm
Molar Volume: 356.1±3.0 cm3

Click to predict properties on the Chemicalize site


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