ChemSpider 2D Image | (1S,3S)-1-(4-Hydroxy-3-{4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]phenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-3-isoquinolinol | C35H38N2O6

(1S,3S)-1-(4-Hydroxy-3-{4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]phenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-3-isoquinolinol

  • Molecular FormulaC35H38N2O6
  • Average mass582.686 Da
  • Monoisotopic mass582.273010 Da
  • ChemSpider ID114313

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,3S)-1-(4-Hydroxy-3-{4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydro-1-isochinolinyl)methyl]phenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-3-isochinolinol [German] [ACD/IUPAC Name]
(1S,3S)-1-(4-Hydroxy-3-{4-[(7-hydroxy-6-méthoxy-1,2,3,4-tétrahydro-1-isoquinoléinyl)méthyl]phénoxy}benzyl)-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-3-isoquinoléinol [French] [ACD/IUPAC Name]
(1S,3S)-1-(4-Hydroxy-3-{4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]phenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-3-isoquinolinol [ACD/IUPAC Name]
3-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[4-[(1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, (1S,3S)- [ACD/Index Name]
120091-14-7 [RN]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-, (S-(R*,R*))-
7-Isoquinolinol,1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[4-[(1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-,[S-(R*,R*)]- (9CI)
Demethylnorthalibrine
Northalibroline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.6±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 165.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 11.37
ACD/KOC (pH 7.4): 51.91
Polar Surface Area: 104 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 459.2±3.0 cm3

Click to predict properties on the Chemicalize site


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