ChemSpider 2D Image | (6aR,6a'R)-2,2'-[1,2-Ethanediylbis(oxy)]bis(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol) | C36H36N2O6

(6aR,6a'R)-2,2'-[1,2-Ethanediylbis(oxy)]bis(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol)

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID23340785

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,6a'R)-2,2'-[1,2-Ethandiylbis(oxy)]bis(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin-10,11-diol) [German] [ACD/IUPAC Name]
(6aR,6a'R)-2,2'-[1,2-Éthanediylbis(oxy)]bis(6-méthyl-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléine-10,11-diol) [French] [ACD/IUPAC Name]
(6aR,6a'R)-2,2'-[1,2-Ethanediylbis(oxy)]bis(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol) [ACD/IUPAC Name]
4H-Dibenzo[de,g]quinoline-10,11-diol, 2,2'-[1,2-ethanediylbis(oxy)]bis[5,6,6a,7-tetrahydro-6-methyl-, (6aR,6'aR)- [ACD/Index Name]
(6aR,6a'R)-2,2'-[ethane-1,2-diylbis(oxy)]bis(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol)
1,2-Bis-[R-(-)-apomorphine-2'-oxy]ethane
CHEMBL442926
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL442926/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 855.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 471.4±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 167.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 3.83
ACD/KOC (pH 5.5): 9.56
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 3133.20
ACD/KOC (pH 7.4): 7821.64
Polar Surface Area: 106 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 430.8±3.0 cm3

Click to predict properties on the Chemicalize site


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