ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta,17alpha)-Estra-1(10),2,4-triene-3,17-diyl dipropanoate | C24H32O4

(8α,9β,13α,14β,17α)-Estra-1(10),2,4-triene-3,17-diyl dipropanoate

  • Molecular FormulaC24H32O4
  • Average mass384.509 Da
  • Monoisotopic mass384.230072 Da
  • ChemSpider ID64872616

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8α,9β,13α,14β,17α)-Estra-1(10),2,4-trien-3,17-diyl-dipropanoat [German] [ACD/IUPAC Name]
(8α,9β,13α,14β,17α)-Estra-1(10),2,4-triene-3,17-diyl dipropanoate [ACD/IUPAC Name]
Dipropanoate de (8α,9β,13α,14β,17α)-estra-1(10),2,4-triène-3,17-diyle [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, dipropanoate, (8α,9β,13α,14β,17α)- [ACD/Index 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: 487.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 238.5±27.1 °C
Index of Refraction: 1.554
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12129.18
ACD/KOC (pH 5.5): 29160.51
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12129.18
ACD/KOC (pH 7.4): 29160.51
Polar Surface Area: 53 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 335.7±5.0 cm3

Click to predict properties on the Chemicalize site


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