ChemSpider 2D Image | (9xi,11beta,14xi,17beta)-17-Hydroxy-8-methyl-11-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}estra-1,3,5(10)-trien-3-yl acetate | C33H43NO4

(9ξ,11β,14ξ,17β)-17-Hydroxy-8-methyl-11-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}estra-1,3,5(10)-trien-3-yl acetate

  • Molecular FormulaC33H43NO4
  • Average mass517.699 Da
  • Monoisotopic mass517.319214 Da
  • ChemSpider ID8361714

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(9ξ,11β,14ξ,17β)-17-Hydroxy-8-methyl-11-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}estra-1,3,5(10)-trien-3-yl acetate [ACD/IUPAC Name]
(9ξ,11β,14ξ,17β)-17-Hydroxy-8-methyl-11-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}estra-1,3,5(10)-trien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (9ξ,11β,14ξ,17β)-17-hydroxy-8-méthyl-11-{4-[2-(1-pyrrolidinyl)éthoxy]phényl}estra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 8-methyl-11-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, 3-acetate, (9ξ,11β,14ξ,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: 640.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.1±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 149.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 17.11
ACD/KOC (pH 5.5): 35.85
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 131.60
ACD/KOC (pH 7.4): 275.67
Polar Surface Area: 59 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 447.1±3.0 cm3

Click to predict properties on the Chemicalize site


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