ChemSpider 2D Image | 7-Hydroxy-1-(4-{2-hydroxy-5-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinoliniumyl)methyl]phenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium | C36H42N2O6

7-Hydroxy-1-(4-{2-hydroxy-5-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinoliniumyl)methyl]phenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium

  • Molecular FormulaC36H42N2O6
  • Average mass598.727 Da
  • Monoisotopic mass598.303162 Da
  • ChemSpider ID24785342

  • Charge - Charge

More details:

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

7-Hydroxy-1-(4-{2-hydroxy-5-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinoliniumyl)methyl]phenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisochinolinium [German] [ACD/IUPAC Name]
7-Hydroxy-1-(4-{2-hydroxy-5-[(7-hydroxy-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléiniumyl)méthyl]phénoxy}benzyl)-6-méthoxy-2-méthyl-1,2,3,4-tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
7-Hydroxy-1-(4-{2-hydroxy-5-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinoliniumyl)methyl]phenoxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium [ACD/IUPAC Name]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[(1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, conjugate diacid [ACD/Index Name]
(1S)-1,2,3,4-tetrahydro-1-[ [4-[2-hydroxy-5-[ [ (1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl ]methyl ]phenoxy ]phenyl ]methyl ]-6-methoxy-2-methyl-7-isoquinolinol
berbamunine
guattegaumerine

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

Density:
Boiling Point: 738.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 400.3±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 174.58
ACD/KOC (pH 7.4): 611.41
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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