ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]-3,5,7-chromanetriol | C30H26O12

2-(3,4-Dihydroxyphenyl)-8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]-3,5,7-chromanetriol

  • Molecular FormulaC30H26O12
  • Average mass578.520 Da
  • Monoisotopic mass578.142456 Da
  • ChemSpider ID35013516

More details:

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

2-(3,4-Dihydroxyphenyl)-8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]-3,5,7-chromanetriol [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl)phényl]-3,5,7-chromanetriol [French] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]-3,5,7-chromantriol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,5,7-triol, 8-[2-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro- [ACD/Index Name]
8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Epicatechin(6'->8)epicatechin
Epicatechin-(6'->8)-epicatechin

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1004.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.6±3.0 kJ/mol
Flash Point: 561.5±34.3 °C
Index of Refraction: 1.801
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 63.40
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 61.40
Polar Surface Area: 221 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 102.5±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

Click to predict properties on the Chemicalize site


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