ChemSpider 2D Image | (2S,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromene-3,3',5',7,7'-pentol | C30H26O10

(2S,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromene-3,3',5',7,7'-pentol

  • Molecular FormulaC30H26O10
  • Average mass546.521 Da
  • Monoisotopic mass546.152588 Da
  • ChemSpider ID28287882

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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(2S,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-3,3',5',7,7'-pentol [German] [ACD/IUPAC Name]
(2S,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromene-3,3',5',7,7'-pentol [ACD/IUPAC Name]
(2S,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphényl)-2-(4-hydroxyphényl)-3,3',4,4'-tétrahydro-2H,2'H-4,6'-bichromène-3,3',5',7,7'-pentol [French] [ACD/IUPAC Name]
[4,6'-Bi-2H-1-benzopyran]-3,3',5',7,7'-pentol, 2'-(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2-(4-hydroxyphenyl)-, (2S,2'R,3R,3'S,4R)- [ACD/Index Name]
26277-74-7 [RN]
ent-guibourtinidol-(4b®6)-catechin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 932.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.1±3.0 kJ/mol
Flash Point: 517.9±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.84
ACD/KOC (pH 5.5): 305.91
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 19.98
ACD/KOC (pH 7.4): 293.30
Polar Surface Area: 180 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 89.4±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

Click to predict properties on the Chemicalize site


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