ChemSpider 2D Image | (8alpha,11beta,17alpha)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione | C28H35NO3

(8α,11β,17α)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione

  • Molecular FormulaC28H35NO3
  • Average mass433.582 Da
  • Monoisotopic mass433.261688 Da
  • ChemSpider ID128924636

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8α,11β,17α)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,11β,17α)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione [ACD/IUPAC Name]
(8α,11β,17α)-11-[4-(Diméthylamino)phényl]-17-hydroxy-19-norprégna-4,9-diène-3,20-dione [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-, (8α,11β,17β)- [ACD/Index Name]
159811-51-5 [RN]
Ulipristal [INN] [USAN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 385.95
ACD/KOC (pH 5.5): 2053.50
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 732.70
ACD/KOC (pH 7.4): 3898.42
Polar Surface Area: 58 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 359.5±5.0 cm3

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