ChemSpider 2D Image | (11beta,13alpha,14beta,17alpha)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate | C30H37NO4

(11β,13α,14β,17α)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate

  • Molecular FormulaC30H37NO4
  • Average mass475.619 Da
  • Monoisotopic mass475.272247 Da
  • ChemSpider ID113606831

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11β,13α,14β,17α)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate [ACD/IUPAC Name]
(11β,13α,14β,17α)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (11β,13α,14β,17α)-11-[4-(diméthylamino)phényl]-3,20-dioxo-19-norprégna-4,9-dién-17-yle [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-acetyl-17-(acetyloxy)-11-[4-(dimethylamino)phenyl]-, (11β,13α,14β,17β)- [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: 640.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.9±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1088.94
ACD/KOC (pH 5.5): 4281.08
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2123.30
ACD/KOC (pH 7.4): 8347.63
Polar Surface Area: 64 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 397.2±5.0 cm3

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