ChemSpider 2D Image | (1S)-1-[4-(4-Hydroxy-2-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-5-methoxyphenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol | C37H42N2O7

(1S)-1-[4-(4-Hydroxy-2-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-5-methoxyphenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol

  • Molecular FormulaC37H42N2O7
  • Average mass626.739 Da
  • Monoisotopic mass626.299194 Da
  • ChemSpider ID107562146

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-1-[4-(4-Hydroxy-2-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}-5-methoxyphenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isochinolinol [German] [ACD/IUPAC Name]
(1S)-1-[4-(4-Hydroxy-2-{[(1S)-7-hydroxy-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}-5-méthoxyphénoxy)benzyl]-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinol [French] [ACD/IUPAC Name]
(1S)-1-[4-(4-Hydroxy-2-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-5-methoxyphenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol [ACD/IUPAC Name]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-[4-hydroxy-5-methoxy-2-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, (1S)- [ACD/Index Name]
Magnolamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 418.3±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 177.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 81.51
ACD/KOC (pH 7.4): 371.42
Polar Surface Area: 104 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 499.7±3.0 cm3

Click to predict properties on the Chemicalize site


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