ChemSpider 2D Image | (2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)vinyl]-2,2',3,3'-tetrahydro-3,5'-bi-1-benzofuran-6,7'-diol | C42H32O9

(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)vinyl]-2,2',3,3'-tetrahydro-3,5'-bi-1-benzofuran-6,7'-diol

  • Molecular FormulaC42H32O9
  • Average mass680.698 Da
  • Monoisotopic mass680.204651 Da
  • ChemSpider ID57539160

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)vinyl]-2,2',3,3'-tetrahydro-3,5'-bi-1-benzofuran-6,7'-diol [German] [ACD/IUPAC Name]
(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)vinyl]-2,2',3,3'-tetrahydro-3,5'-bi-1-benzofuran-6,7'-diol [ACD/IUPAC Name]
(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphényl)-2,2'-bis(4-hydroxyphényl)-4-[(Z)-2-(4-hydroxyphényl)vinyl]-2,2',3,3'-tétrahydro-3,5'-bi-1-benzofurane-6,7'-diol [French] [ACD/IUPAC Name]
[3,5'-Bibenzofuran]-6,7'-diol, 3'-(3,5-dihydroxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-, (2S,2'R,3S,3'R)- [ACD/Index Name]
(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-4-[2-(
(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,2',3,3'-tetrahydro[3,5'-bi-1-benzofuran]-6,7'-diol
109605-83-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 868.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 478.9±34.3 °C
Index of Refraction: 1.783
Molar Refractivity: 192.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8627.48
ACD/KOC (pH 5.5): 22847.42
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8313.33
ACD/KOC (pH 7.4): 22015.50
Polar Surface Area: 160 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 458.7±3.0 cm3

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