ChemSpider 2D Image | (5bR,6R,10bR,11R)-3-(3,5-Dihydroxyphenyl)-2,6,11-tris(4-hydroxyphenyl)-2,3,5b,6,10b,11-hexahydroindeno[2',1':1,2]indeno[4,5-b]furan-4,7,9-triol | C42H32O9

(5bR,6R,10bR,11R)-3-(3,5-Dihydroxyphenyl)-2,6,11-tris(4-hydroxyphenyl)-2,3,5b,6,10b,11-hexahydroindeno[2',1':1,2]indeno[4,5-b]furan-4,7,9-triol

  • Molecular FormulaC42H32O9
  • Average mass680.698 Da
  • Monoisotopic mass680.204651 Da
  • ChemSpider ID59003988

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(5bR,6R,10bR,11R)-3-(3,5-Dihydroxyphenyl)-2,6,11-tris(4-hydroxyphenyl)-2,3,5b,6,10b,11-hexahydroindeno[2',1':1,2]indeno[4,5-b]furan-4,7,9-triol [German] [ACD/IUPAC Name]
(5bR,6R,10bR,11R)-3-(3,5-Dihydroxyphenyl)-2,6,11-tris(4-hydroxyphenyl)-2,3,5b,6,10b,11-hexahydroindeno[2',1':1,2]indeno[4,5-b]furan-4,7,9-triol [ACD/IUPAC Name]
(5bR,6R,10bR,11R)-3-(3,5-Dihydroxyphényl)-2,6,11-tris(4-hydroxyphényl)-2,3,5b,6,10b,11-hexahydroindéno[2',1':1,2]indéno[4,5-b]furane-4,7,9-triol [French] [ACD/IUPAC Name]
Indeno[2',1':1,2]indeno[4,5-b]furan-4,7,9-triol, 3-(3,5-dihydroxyphenyl)-2,3,5b,6,10b,11-hexahydro-2,6,11-tris(4-hydroxyphenyl)-, (5bR,6R,10bR,11R)- [ACD/Index Name]

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: 1.781
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7834.85
ACD/KOC (pH 5.5): 21324.76
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7574.88
ACD/KOC (pH 7.4): 20617.19
Polar Surface Area: 171 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 85.8±3.0 dyne/cm
Molar Volume: 446.9±3.0 cm3

Click to predict properties on the Chemicalize site


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