ChemSpider 2D Image | 1-(6-{[(17alpha)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino}hexyl)-1H-pyrrole-2,5-dione | C29H40N2O3

1-(6-{[(17α)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino}hexyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC29H40N2O3
  • Average mass464.639 Da
  • Monoisotopic mass464.303894 Da
  • ChemSpider ID28503133
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-(6-{[(17α)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino}hexyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1-(6-{[(17α)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino}hexyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-(6-{[(17α)-3-Méthoxyestra-1,3,5(10)-trién-17-yl]amino}hexyl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 1-[6-[[(17α)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.0±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 12.19
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 6.42
ACD/KOC (pH 7.4): 19.97
Polar Surface Area: 59 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 398.6±5.0 cm3

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