ChemSpider 2D Image | 2-(Cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-10-yl (1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-y l succinate | C38H50N2O10

2-(Cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-10-yl (1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-y l succinate

  • Molecular FormulaC38H50N2O10
  • Average mass694.811 Da
  • Monoisotopic mass694.346558 Da
  • ChemSpider ID28430945

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-(Cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-10-yl-(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-y 
l-succinat [German] [ACD/IUPAC Name]
2-(Cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-10-yl (1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-y 
l succinate [ACD/IUPAC Name]
Butanedioic acid, 2-(cyclohexylcarbonyl)-1,3,4,6,7,11b-hexahydro-4-oxo-2H-pyrazino[2,1-a]isoquinolin-10-yl (3R,5aS,6R,8aS,9R,10R,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-be nzodioxepin-10-yl ester [ACD/Index Name]
Succinate de 2-(cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-10-yle et de (1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13 .08,13]hexadéc-10-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 821.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 450.5±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 179.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6902.87
ACD/KOC (pH 5.5): 19479.10
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6902.88
ACD/KOC (pH 7.4): 19479.10
Polar Surface Area: 130 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 518.0±5.0 cm3

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