ChemSpider 2D Image | epigallocatechin-(4beta->8)-4'-O-methylgallocatechin | C31H28O14

epigallocatechin-(4β->8)-4'-O-methylgallocatechin

  • Molecular FormulaC31H28O14
  • Average mass624.546 Da
  • Monoisotopic mass624.147888 Da
  • ChemSpider ID26633811

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,2'R,3R,3'S,4R)-2'-(3,5-Dihydroxy-4-methoxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3,3',5,5',7,7'-hexol [German] [ACD/IUPAC Name]
(2R,2'R,3R,3'S,4R)-2'-(3,5-Dihydroxy-4-methoxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol [ACD/IUPAC Name]
(2R,2'R,3R,3'S,4R)-2'-(3,5-Dihydroxy-4-méthoxyphényl)-2-(3,4,5-trihydroxyphényl)-3,3',4,4'-tétrahydro-2H,2'H-4,8'-bichromène-3,3',5,5',7,7'-hexol [French] [ACD/IUPAC Name]
[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2'-(3,5-dihydroxy-4-methoxyphenyl)-3,3',4,4'-tetrahydro-2-(3,4,5-trihydroxyphenyl)-, (2R,2'R,3R,3'S,4R)- [ACD/Index Name]
epigallocatechin-(4β->8)-4'-O-methylgallocatechin
epigallocatechin-(4b®8)-4'-O-methylgallocatechin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 923.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 512.3±34.3 °C
Index of Refraction: 1.796
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.91
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.70
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.29
Polar Surface Area: 250 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 103.9±3.0 dyne/cm
Molar Volume: 361.6±3.0 cm3

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