ChemSpider 2D Image | (9beta,14beta,17beta)-Estra-1,3,5(10)-triene-3,17-diyl diacetate | C22H28O4

(9β,14β,17β)-Estra-1,3,5(10)-triene-3,17-diyl diacetate

  • Molecular FormulaC22H28O4
  • Average mass356.455 Da
  • Monoisotopic mass356.198761 Da
  • ChemSpider ID77498567

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9β,14β,17β)-Estra-1,3,5(10)-trien-3,17-diyl-diacetat [German] [ACD/IUPAC Name]
(9β,14β,17β)-Estra-1,3,5(10)-triene-3,17-diyl diacetate [ACD/IUPAC Name]
Diacétate de (9β,14β,17β)-estra-1,3,5(10)-triène-3,17-diyle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, diacetate, (9β,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: 463.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 227.5±27.1 °C
Index of Refraction: 1.562
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1998.78
ACD/KOC (pH 5.5): 8022.03
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 1998.78
ACD/KOC (pH 7.4): 8022.03
Polar Surface Area: 53 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 303.4±5.0 cm3

Click to predict properties on the Chemicalize site


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