ChemSpider 2D Image | (6aR)-9-(4-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol | C37H40N2O6

(6aR)-9-(4-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID167688
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6aR)-9-(4-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin-1,10-diol [German] [ACD/IUPAC Name]
(6aR)-9-(4-{[(1S)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}phénoxy)-2-méthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléine-1,10-diol [French] [ACD/IUPAC Name]
(6aR)-9-(4-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol [ACD/IUPAC Name]
4H-Dibenzo[de,g]quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-[4-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-, (6aR)- [ACD/Index Name]
(6ar)-9-(4-{[(1s)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-1,10-diol
36506-69-1 [RN]
4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (R-(R*,S*))-
Pakistanine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 174.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 6.69
ACD/KOC (pH 5.5): 14.11
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 4201.66
ACD/KOC (pH 7.4): 8857.99
Polar Surface Area: 84 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 484.4±3.0 cm3

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