ChemSpider 2D Image | 3-[4-({(1S)-6,7-Dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy]-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl}methyl)phenoxy]-4-methoxybenzaldehyde | C38H40N2O8

3-[4-({(1S)-6,7-Dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy]-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl}methyl)phenoxy]-4-methoxybenzaldehyde

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID8731627

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[4-({(1S)-6,7-Dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-7-isochinolinyl)oxy]-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl}methyl)phenoxy]-4-methoxybenzaldehyd [German] [ACD/IUPAC Name]
3-[4-({(1S)-6,7-Diméthoxy-8-[(6-méthoxy-2-méthyl-1-oxo-1,2,3,4-tétrahydro-7-isoquinoléinyl)oxy]-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl}méthyl)phénoxy]-4-méthoxybenzaldéhyde [French] [ACD/IUPAC Name]
3-[4-({(1S)-6,7-Dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy]-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl}methyl)phenoxy]-4-methoxybenzaldehyde [ACD/IUPAC Name]
Benzaldehyde, 4-methoxy-3-[4-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-oxo-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]phenoxy]- [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: 781.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 426.3±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 182.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 7.66
ACD/KOC (pH 5.5): 45.47
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 271.08
ACD/KOC (pH 7.4): 1609.25
Polar Surface Area: 96 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 528.8±3.0 cm3

Click to predict properties on the Chemicalize site


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