ChemSpider 2D Image | (6aR)-9-(4-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol | C38H42N2O6

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

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID157866

  • 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)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin-10-ol [German] [ACD/IUPAC Name]
(6aR)-9-(4-{[(1S)-6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}phénoxy)-1,2-diméthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléin-10-ol [French] [ACD/IUPAC Name]
(6aR)-9-(4-{[(1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}phenoxy)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol [ACD/IUPAC Name]
36418-13-0 [RN]
4H-Dibenzo[de,g]quinolin-10-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-9-[4-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-, (6aR)- [ACD/Index Name]
1-O-Methylpakistanine
METHYLPAKISTANINE, 1-O-
NSC 335647

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

1MY76OWIFF [DBID]
NSC335647 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 723.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 391.6±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 178.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 29.89
ACD/KOC (pH 5.5): 44.64
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 15991.30
ACD/KOC (pH 7.4): 23886.88
Polar Surface Area: 73 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 510.0±3.0 cm3

Click to predict properties on the Chemicalize site


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