Found 91 results

Search term: MF = 'C_{29}H_{39}NO_{6}'
ChemSpider 2D Image | [(1R)-4a-Hydroxy-1-(2-methoxyphenyl)octahydro-2(1H)-isoquinolinyl](3,4,5-triethoxyphenyl)methanone | C29H39NO6

[(1R)-4a-Hydroxy-1-(2-methoxyphenyl)octahydro-2(1H)-isoquinolinyl](3,4,5-triethoxyphenyl)methanone

  • Molecular FormulaC29H39NO6
  • Average mass497.623 Da
  • Monoisotopic mass497.277740 Da
  • ChemSpider ID60554371

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

[(1R)-4a-Hydroxy-1-(2-methoxyphenyl)octahydro-2(1H)-isochinolinyl](3,4,5-triethoxyphenyl)methanon [German] [ACD/IUPAC Name]
[(1R)-4a-Hydroxy-1-(2-méthoxyphényl)octahydro-2(1H)-isoquinoléinyl](3,4,5-triéthoxyphényl)méthanone [French] [ACD/IUPAC Name]
[(1R)-4a-Hydroxy-1-(2-methoxyphenyl)octahydro-2(1H)-isoquinolinyl](3,4,5-triethoxyphenyl)methanone [ACD/IUPAC Name]
Methanone, [(1R)-octahydro-4a-hydroxy-1-(2-methoxyphenyl)-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: 655.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.4±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7385.67
ACD/KOC (pH 5.5): 20444.86
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7385.67
ACD/KOC (pH 7.4): 20444.86
Polar Surface Area: 77 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 428.0±3.0 cm3

Click to predict properties on the Chemicalize site


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