ChemSpider 2D Image | Canaliculatol | C42H32O9

Canaliculatol

  • Molecular FormulaC42H32O9
  • Average mass680.698 Da
  • Monoisotopic mass680.204651 Da
  • ChemSpider ID391052

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,2aR,7R,7aR,12R,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydro-1-oxabenzo[6,7]indeno[7',1':3,4,5]cycloocta[1,2-a]inden-4,6,9,11,14-pentol [German] [ACD/IUPAC Name]
(2R,2aR,7R,7aR,12R,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydro-1-oxabenzo[6,7]indeno[7',1':3,4,5]cycloocta[1,2-a]indene-4,6,9,11,14-pentol [ACD/IUPAC Name]
(2R,2aR,7R,7aR,12R,12aS)-2,7,12-Tris(4-hydroxyphényl)-2,2a,7,7a,12,12a-hexahydro-1-oxabenzo[6,7]indéno[7',1':3,4,5]cycloocta[1,2-a]indène-4,6,9,11,14-pentol [French] [ACD/IUPAC Name]
Benz[7,8]indeno[2',1':4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol, 2,2a,7,7a,12,12a-hexahydro-2,7,12-tris(4-hydroxyphenyl)-, (2R,2aR,7R,7aR,12R,12aS)- [ACD/Index Name]
Canaliculatol
114488-83-4 [RN]

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

C10249 [DBID]

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: 1.773
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9809.98
ACD/KOC (pH 5.5): 25047.76
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9464.34
ACD/KOC (pH 7.4): 24165.24
Polar Surface Area: 171 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 83.3±3.0 dyne/cm
Molar Volume: 450.5±3.0 cm3

Click to predict properties on the Chemicalize site


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