ChemSpider 2D Image | 1-(4-Acetylbenzoyl)-N-{11-[(7beta,8xi,9beta,13alpha,14beta,17alpha)-3,17-dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}prolinamide | C43H60N2O5

1-(4-Acetylbenzoyl)-N-{11-[(7β,8ξ,9β,13α,14β,17α)-3,17-dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}prolinamide

  • Molecular FormulaC43H60N2O5
  • Average mass684.947 Da
  • Monoisotopic mass684.450195 Da
  • ChemSpider ID76779752

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

1-(4-Acetylbenzoyl)-N-{11-[(7β,8ξ,9β,13α,14β,17α)-3,17-dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}prolinamid [German] [ACD/IUPAC Name]
1-(4-Acetylbenzoyl)-N-{11-[(7β,8ξ,9β,13α,14β,17α)-3,17-dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}prolinamide [ACD/IUPAC Name]
1-(4-Acétylbenzoyl)-N-{11-[(7β,8ξ,9β,13α,14β,17α)-3,17-dihydroxyestra-1(10),2,4-trién-7-yl]undécyl}prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-(4-acetylbenzoyl)-N-[11-[(7β,8ξ,9β,13α,14β,17α)-3,17-dihydroxyestra-1(10),2,4-trien-7-yl]undecyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 872.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 481.5±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 198.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 259111.94
ACD/KOC (pH 5.5): 260943.70
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 258776.17
ACD/KOC (pH 7.4): 260605.56
Polar Surface Area: 107 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 602.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement