ChemSpider 2D Image | (1S,2R)-1-[3-(2-Hydroxy-6-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-3-methoxyphenoxy)-4-methoxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol 2-oxid e | C38H44N2O9

(1S,2R)-1-[3-(2-Hydroxy-6-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-3-methoxyphenoxy)-4-methoxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol 2-oxid e

  • Molecular FormulaC38H44N2O9
  • Average mass672.764 Da
  • Monoisotopic mass672.304688 Da
  • ChemSpider ID8570164

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R) 2-Oxyde de 1-[3-(2-hydroxy-6-{[(1S)-7-hydroxy-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyl}-3-méthoxyphénoxy)-4-méthoxybenzyl]-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-7-isoquino léinol [French] [ACD/IUPAC Name]
(1S,2R)-1-[3-(2-Hydroxy-6-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl]methyl}-3-methoxyphenoxy)-4-methoxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isochinolinol-2-oxid [German] [ACD/IUPAC Name]
(1S,2R)-1-[3-(2-Hydroxy-6-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-3-methoxyphenoxy)-4-methoxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol 2-oxid e [ACD/IUPAC Name]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[3-[2-hydroxy-3-methoxy-6-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-, 2-o xide, (1S,2R)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 57.13
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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