ChemSpider 2D Image | Hopeaphenol | C56H42O12

Hopeaphenol

  • Molecular FormulaC56H42O12
  • Average mass906.925 Da
  • Monoisotopic mass906.267639 Da
  • ChemSpider ID23189501

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,1'R,6S,6'S,7R,7'R,11bR,11b'R)-1,1',7,7'-Tetrakis(4-hydroxyphenyl)-1,1',6,6',7,7',11b,11b'-octahydro-6,6'-bi-2-oxadibenzo[cd,h]azulen-4,4',8,8',10,10'-hexol [German] [ACD/IUPAC Name]
(1R,1'R,6S,6'S,7R,7'R,11bR,11b'R)-1,1',7,7'-Tetrakis(4-hydroxyphenyl)-1,1',6,6',7,7',11b,11b'-octahydro-6,6'-bi-2-oxadibenzo[cd,h]azulene-4,4',8,8',10,10'-hexol [ACD/IUPAC Name]
(1R,1'R,6S,6'S,7R,7'R,11bR,11b'R)-1,1',7,7'-Tétrakis(4-hydroxyphényl)-1,1',6,6',7,7',11b,11b'-octahydro-6,6'-bi-2-oxadibenzo[cd,h]azulène-4,4',8,8',10,10'-hexol [French] [ACD/IUPAC Name]
[6,6'-Bibenzo[6,7]cyclohepta[1,2,3-cd]benzofuran]-4,4',8,8',10,10'-hexol, 1,1',6,6',7,7',11b,11'b-octahydro-1,1',7,7'-tetrakis(4-hydroxyphenyl)-, (1R,1'R,6S,6'S,7R,7'R,11bR,11b'R)- [ACD/Index Name]
17912-85-5 [RN]
Hopeaphenol [Wiki]
(1R,6S,7R,11bR,1'R,6'S,7'R,11'bR)-1,7,1',7'-Tetrakis-(4-hydroxy-phenyl)-1,6,7,11b,1',6',7',11'b-octahydro-[6,6']bi[2-oxa-dibenzo[cd,h]azulenyl]-4,8,10,4',8',10'-hexaol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL384120/

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: 1.784
Molar Refractivity: 249.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 193341.88
ACD/KOC (pH 5.5): 211466.27
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 192141.14
ACD/KOC (pH 7.4): 210152.73
Polar Surface Area: 221 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 592.2±3.0 cm3

Click to predict properties on the Chemicalize site


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