ChemSpider 2D Image | (3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-4-methoxyphenyl)-2,8-bis[4-(4-morpholinyl)phenyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone | C41H42N4O8

(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-4-methoxyphenyl)-2,8-bis[4-(4-morpholinyl)phenyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone

  • Molecular FormulaC41H42N4O8
  • Average mass718.794 Da
  • Monoisotopic mass718.300293 Da
  • ChemSpider ID5070092
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-4-methoxyphenyl)-2,8-bis[4-(4-morpholinyl)phenyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-1,3,7,9(2H,8H)-tetron [German] [ACD/IUPAC Name]
(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-4-methoxyphenyl)-2,8-bis[4-(4-morpholinyl)phenyl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone [ACD/IUPAC Name]
(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-Hydroxy-4-méthoxyphényl)-2,8-bis[4-(4-morpholinyl)phényl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tétrone [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone, 3a,4,6,6a,9a,10,10a,10b-octahydro-6-(2-hydroxy-4-methoxyphenyl)-2,8-bis[4-(4-morpholinyl)phenyl]-, (3aS,6R,6aS,9aR,10aS,10bR)- [ACD/Index Name]
DAP1_000987
DAP2_001605

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 192.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 28.70
ACD/KOC (pH 5.5): 368.98
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.86
ACD/KOC (pH 7.4): 422.52
Polar Surface Area: 129 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 490.5±5.0 cm3

Click to predict properties on the Chemicalize site






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