ChemSpider 2D Image | N-{11-[(7beta,8xi,9beta,13alpha,14beta,17alpha)-3,17-Dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}-1-hexanoyl-D-prolinamide | C40H64N2O4

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

  • Molecular FormulaC40H64N2O4
  • Average mass636.947 Da
  • Monoisotopic mass636.486633 Da
  • ChemSpider ID26381887

  • 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-oxohexyl)-, (2R)- [ACD/Index Name]
N-{11-[(7β,8ξ,9β,13α,14β,17α)-3,17-Dihydroxyestra-1(10),2,4-trien-7-yl]undecyl}-1-hexanoyl-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-hexanoyl-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-hexanoyl-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: 809.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.4±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 186.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.60
ACD/LogD (pH 5.5): 8.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1566832.50
ACD/LogD (pH 7.4): 8.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1564803.88
Polar Surface Area: 90 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 590.8±3.0 cm3

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