ChemSpider 2D Image | [(1R)-1-(2,5-Dimethoxyphenyl)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl](3,4,5-triethoxyphenyl)methanone | C30H41NO7

[(1R)-1-(2,5-Dimethoxyphenyl)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl](3,4,5-triethoxyphenyl)methanone

  • Molecular FormulaC30H41NO7
  • Average mass527.649 Da
  • Monoisotopic mass527.288330 Da
  • ChemSpider ID60554571

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

[(1R)-1-(2,5-Dimethoxyphenyl)-4a-hydroxyoctahydro-2(1H)-isochinolinyl](3,4,5-triethoxyphenyl)methanon [German] [ACD/IUPAC Name]
[(1R)-1-(2,5-Diméthoxyphényl)-4a-hydroxyoctahydro-2(1H)-isoquinoléinyl](3,4,5-triéthoxyphényl)méthanone [French] [ACD/IUPAC Name]
[(1R)-1-(2,5-Dimethoxyphenyl)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl](3,4,5-triethoxyphenyl)methanone [ACD/IUPAC Name]
Methanone, [(1R)-1-(2,5-dimethoxyphenyl)octahydro-4a-hydroxy-2(1H)-isoquinolinyl](3,4,5-triethoxyphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6663.06
ACD/KOC (pH 5.5): 18992.27
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6663.06
ACD/KOC (pH 7.4): 18992.27
Polar Surface Area: 87 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 452.0±3.0 cm3

Click to predict properties on the Chemicalize site


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