ChemSpider 2D Image | (1R,3aR,7aR,8aR,11S)-11-Butyl-1-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-2,3,5,6,7,7a,8a,11-octahydro-1H,9H-pyrano[4,3-b]pyrrolo[2,1-j]quinoline-8,9(4H)-dione | C36H47NO4Si

(1R,3aR,7aR,8aR,11S)-11-Butyl-1-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-2,3,5,6,7,7a,8a,11-octahydro-1H,9H-pyrano[4,3-b]pyrrolo[2,1-j]quinoline-8,9(4H)-dione

  • Molecular FormulaC36H47NO4Si
  • Average mass585.848 Da
  • Monoisotopic mass585.327454 Da
  • ChemSpider ID30651682

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3aR,7aR,8aR,11S)-11-Butyl-1-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-2,3,5,6,7,7a,8a,11-octahydro-1H,9H-pyrano[4,3-b]pyrrolo[2,1-j]chinolin-8,9(4H)-dion [German] [ACD/IUPAC Name]
(1R,3aR,7aR,8aR,11S)-11-Butyl-1-({[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}méthyl)-2,3,5,6,7,7a,8a,11-octahydro-1H,9H-pyrano[4,3-b]pyrrolo[2,1-j]quinoléine-8,9(4H)-dione [French] [ACD/IUPAC Name]
(1R,3aR,7aR,8aR,11S)-11-Butyl-1-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-2,3,5,6,7,7a,8a,11-octahydro-1H,9H-pyrano[4,3-b]pyrrolo[2,1-j]quinoline-8,9(4H)-dione [ACD/IUPAC Name]
1H,9H-Pyrano[4,3-b]pyrrolo[2,1-j]quinoline-8,9(4H)-dione, 11-butyl-1-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-2,3,5,6,7,7a,8a,11-octahydro-, (1R,3aR,7aR,8aR,11S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.3±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.91
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1278531.38
ACD/LogD (pH 7.4): 8.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1318408.38
Polar Surface Area: 56 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 507.9±5.0 cm3

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