ChemSpider 2D Image | (1alpha)-6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol | C36H38N2O6

(1α)-6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol

  • Molecular FormulaC36H38N2O6
  • Average mass594.697 Da
  • Monoisotopic mass594.273010 Da
  • ChemSpider ID2497060

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1α)-6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol [ACD/IUPAC Name]
(1α)-6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol [German] [ACD/IUPAC Name]
(1α)-6,6'-Diméthoxy-2,2'-diméthyloxyacanthan-7,12'-diol [French] [ACD/IUPAC Name]
(+)-candicusine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504525/

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

NCGC00013980 [DBID]
NSC-93674 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 381.1±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 181.40
ACD/KOC (pH 7.4): 892.48
Polar Surface Area: 84 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 480.0±3.0 cm3

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