ChemSpider 2D Image | N-{11-[(7beta,8xi,9beta,13alpha,14beta,17alpha)-3,17-Dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}-1-propionyl-D-prolinamide | C37H58N2O4

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

  • Molecular FormulaC37H58N2O4
  • Average mass594.867 Da
  • Monoisotopic mass594.439636 Da
  • ChemSpider ID26382967

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[11-[(7β,8ξ,9β,13α,14β,17α)-3,17-dihydroxyestra-1(10),2,4-trien-7-yl]undecyl]-1-(1-oxopropyl)-, (2R)- [ACD/Index Name]
N-{11-[(7β,8ξ,9β,13α,14β,17α)-3,17-Dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}-1-propionyl-D-prolinamid [German] [ACD/IUPAC Name]
N-{11-[(7β,8ξ,9β,13α,14β,17α)-3,17-Dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}-1-propionyl-D-prolinamide [ACD/IUPAC Name]
N-{11-[(7β,8ξ,9β,13α,14β,17α)-3,17-Dihydroxyestra-1(10),2,4-trién-7-yl]undécyl}-1-propionyl-D-prolinamide [French] [ACD/IUPAC 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: 787.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.2±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 172.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 164134.53
ACD/KOC (pH 5.5): 188197.92
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 163922.02
ACD/KOC (pH 7.4): 187954.25
Polar Surface Area: 90 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 541.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement