ChemSpider 2D Image | (1S,6R,11bS)-6-{5-[(7S,8S)-8-(3,5-Dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)-7,8-dihydrofuro[3,2-e][1]benzofuran-2-yl]-2-hydroxyphenyl}-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro-2-oxadibenzo[cd,h]azulene-4,8,10-triol | C56H40O13

(1S,6R,11bS)-6-{5-[(7S,8S)-8-(3,5-Dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)-7,8-dihydrofuro[3,2-e][1]benzofuran-2-yl]-2-hydroxyphenyl}-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro-2-oxadibenzo[cd,h]azulene-4,8,10-triol

  • Molecular FormulaC56H40O13
  • Average mass920.909 Da
  • Monoisotopic mass920.246887 Da
  • ChemSpider ID24534552

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,6R,11bS)-6-{5-[(7S,8S)-8-(3,5-Dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)-7,8-dihydrofuro[3,2-e][1]benzofuran-2-yl]-2-hydroxyphenyl}-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro-2-oxadibenzo[c d,h]azulen-4,8,10-triol [German] [ACD/IUPAC Name]
(1S,6R,11bS)-6-{5-[(7S,8S)-8-(3,5-Dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)-7,8-dihydrofuro[3,2-e][1]benzofuran-2-yl]-2-hydroxyphenyl}-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro-2-oxadibenzo[c d,h]azulene-4,8,10-triol [ACD/IUPAC Name]
(1S,6R,11bS)-6-{5-[(7S,8S)-8-(3,5-Dihydroxyphényl)-4-hydroxy-7-(4-hydroxyphényl)-7,8-dihydrofuro[3,2-e][1]benzofuran-2-yl]-2-hydroxyphényl}-1,7-bis(4-hydroxyphényl)-1,6,7,11b-tétrahydro-2-oxadibenzo[c d,h]azulène-4,8,10-triol [French] [ACD/IUPAC Name]
(1S,6R,11bS)-6-{5-[(7S,8S)-8-(3,5-Dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)-7,8-dihydrofuro[3,2-e][1]benzofuran-2-yl]-2-hydroxyphenyl}-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro-2-oxadibenzo[cd,h]azulene-4,8,10-triol
Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol, 6-[5-[(7S,8S)-8-(3,5-dihydroxyphenyl)-7,8-dihydro-4-hydroxy-7-(4-hydroxyphenyl)benzo[1,2-b:4,3-b']difuran-2-yl]-2-hydroxyphenyl]-1,6,7,11b-tetrah ydro-1,7-bis(4-hydroxyphenyl)-, (1S,6R,11bS)- [ACD/Index Name]
benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol, 6-[5-[(7S,8S)-8-(3,5-dihydroxyphenyl)-7,8-dihydro-4-hydroxy-7-(4-hydroxyphenyl)benzo[1,2-b:4,3-b']difuran-2-yl]-2-hydroxyphenyl]-1,6,7,11b-tetrahydro-1,7-bis(4-hydroxyphenyl)-, (1S,6R,11bS)-

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: 1.789
Molar Refractivity: 252.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 105661.72
ACD/KOC (pH 5.5): 137202.34
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 101761.86
ACD/KOC (pH 7.4): 132138.36
Polar Surface Area: 234 Å2
Polarizability: 100.0±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 596.3±3.0 cm3

Click to predict properties on the Chemicalize site


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