ChemSpider 2D Image | (1alpha,1'alpha)-7,12'-Dihydroxy-6,6'-dimethoxy-2,2,2'-trimethyloxyacanthan-2-ium | C37H41N2O6

(1α,1'α)-7,12'-Dihydroxy-6,6'-dimethoxy-2,2,2'-trimethyloxyacanthan-2-ium

  • Molecular FormulaC37H41N2O6
  • Average mass609.731 Da
  • Monoisotopic mass609.295898 Da
  • ChemSpider ID390779

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1α,1'α)-7,12'-Dihydroxy-6,6'-dimethoxy-2,2,2'-trimethyloxyacanthan-2-ium [ACD/IUPAC Name]
(1α,1'α)-7,12'-Dihydroxy-6,6'-dimethoxy-2,2,2'-trimethyloxyacanthan-2-ium [German] [ACD/IUPAC Name]
(1α,1'α)-7,12'-Dihydroxy-6,6'-diméthoxy-2,2,2'-triméthyloxyacanthan-2-ium [French] [ACD/IUPAC Name]
66216-59-9 [RN]
Macoline

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

C09580 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.14
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.13
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

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