ChemSpider 2D Image | (9beta,11alpha,14beta,17alpha)-11-Hydroxy-16,17-epoxypregn-4-ene-3,20-dione | C21H28O4

(9β,11α,14β,17α)-11-Hydroxy-16,17-epoxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID96316871

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(9β,11α,14β,17α)-11-Hydroxy-16,17-epoxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(9β,11α,14β,17α)-11-Hydroxy-16,17-epoxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(9β,11α,14β,17α)-11-Hydroxy-16,17-époxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 16,17-epoxy-11-hydroxy-, (9β,11α,14β,17α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 508.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 178.7±23.6 °C
Index of Refraction: 1.586
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.95
ACD/KOC (pH 5.5): 307.10
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.95
ACD/KOC (pH 7.4): 307.10
Polar Surface Area: 67 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 274.6±5.0 cm3

Click to predict properties on the Chemicalize site


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