ChemSpider 2D Image | (2S,2'S,2''S,3S,3'S,3''S)-3''-(3,5-Dihydroxyphenyl)-2,2',2''-tris(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2,2',2'',3,3',3''-hexahydro-3,6':3',6''-ter-1-benzofuran-4,4',4''-triol | C56H42O12

(2S,2'S,2''S,3S,3'S,3''S)-3''-(3,5-Dihydroxyphenyl)-2,2',2''-tris(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2,2',2'',3,3',3''-hexahydro-3,6':3',6''-ter-1-benzofuran-4,4',4''-triol

  • Molecular FormulaC56H42O12
  • Average mass906.925 Da
  • Monoisotopic mass906.267639 Da
  • ChemSpider ID17305078

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,2'S,2''S,3S,3'S,3''S)-3''-(3,5-Dihydroxyphenyl)-2,2',2''-tris(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2,2',2'',3,3',3''-hexahydro-3,6':3',6''-ter-1-benzofuran-4,4',4''-triol [ACD/IUPAC Name]
(2S,2'S,2''S,3S,3'S,3''S)-3''-(3,5-Dihydroxyphenyl)-2,2',2''-tris(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2,2',2'',3,3',3''-hexahydro-3,6':3',6''-ter-1-benzofuran-4,4',4''-triol [German] [ACD/IUPAC Name]
(2S,2'S,2''S,3S,3'S,3''S)-3''-(3,5-Dihydroxyphényl)-2,2',2''-tris(4-hydroxyphényl)-6-[(E)-2-(4-hydroxyphényl)vinyl]-2,2',2'',3,3',3''-hexahydro-3,6':3',6''-ter-1-benzofurane-4,4',4''-triol [French] [ACD/IUPAC Name]
[3,6':3',6''-Terbenzofuran]-4,4',4''-triol, 3''-(3,5-dihydroxyphenyl)-2,2',2'',3,3',3''-hexahydro-2,2',2''-tris(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-, (2S,2'S,2''S,3S,3'S,3''S)- [ACD/Index Name]
(2R,?2'R,?2''R,?3R,?3'R,?3''R)?-?rel-?(+)?-3''-?(3,?5-?dihydroxyphenyl)?-?2,?2',?2'',?3,?3',?3''-?hexahydro-?2,?2',?2''-?tris(4-?hydroxyphenyl)?-?6-?[(1E)?-?2-?(4-?hydroxyphenyl)?ethenyl]?-[3,?6':3',?6''-?Terbenzofuran]?-?4,?4',?4''-?triol?
462636-74-4 [RN]
5-[(2S,3S)-4-hydroxy-6-[(2S,3S)-4-hydroxy-6-[(2S,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Gnemonol B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.786
Molar Refractivity: 254.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 231905.05
ACD/KOC (pH 5.5): 240864.34
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 229863.36
ACD/KOC (pH 7.4): 238743.78
Polar Surface Area: 210 Å2
Polarizability: 101.0±0.5 10-24cm3
Surface Tension: 84.2±3.0 dyne/cm
Molar Volume: 604.0±3.0 cm3

Click to predict properties on the Chemicalize site


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