ChemSpider 2D Image | (1S,6R,6aR,11R,11aR)-1-(3,5-Dihydroxyphenyl)-2,6,11-tris(4-hydroxyphenyl)-1,2,6,6a,11,11a-hexahydroindeno[1',2':2,3]indeno[5,4-b]furan-5,8,10-triol | C42H32O9

(1S,6R,6aR,11R,11aR)-1-(3,5-Dihydroxyphenyl)-2,6,11-tris(4-hydroxyphenyl)-1,2,6,6a,11,11a-hexahydroindeno[1',2':2,3]indeno[5,4-b]furan-5,8,10-triol

  • Molecular FormulaC42H32O9
  • Average mass680.698 Da
  • Monoisotopic mass680.204651 Da
  • ChemSpider ID71041968

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,6R,6aR,11R,11aR)-1-(3,5-Dihydroxyphenyl)-2,6,11-tris(4-hydroxyphenyl)-1,2,6,6a,11,11a-hexahydroindeno[1',2':2,3]indeno[5,4-b]furan-5,8,10-triol [German] [ACD/IUPAC Name]
(1S,6R,6aR,11R,11aR)-1-(3,5-Dihydroxyphenyl)-2,6,11-tris(4-hydroxyphenyl)-1,2,6,6a,11,11a-hexahydroindeno[1',2':2,3]indeno[5,4-b]furan-5,8,10-triol [ACD/IUPAC Name]
(1S,6R,6aR,11R,11aR)-1-(3,5-Dihydroxyphényl)-2,6,11-tris(4-hydroxyphényl)-1,2,6,6a,11,11a-hexahydroindéno[1',2':2,3]indéno[5,4-b]furane-5,8,10-triol [French] [ACD/IUPAC Name]
Indeno[1',2':2,3]indeno[5,4-b]furan-5,8,10-triol, 1-(3,5-dihydroxyphenyl)-1,2,6,6a,11,11a-hexahydro-2,6,11-tris(4-hydroxyphenyl)-, (1S,6R,6aR,11R,11aR)- [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): 5.47
ACD/BCF (pH 5.5): 8532.33
ACD/KOC (pH 5.5): 22667.02
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8244.66
ACD/KOC (pH 7.4): 21902.79
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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