ChemSpider 2D Image | (9beta,11beta,14beta)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl acetate | C23H32O5

(9β,11β,14β)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl acetate

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID62519564

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,11α,17α)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl acetate [ACD/IUPAC Name]
(8α,11α,17α)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl-acetat [German] [ACD/IUPAC Name]
(9β,11β,14β)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl acetate [ACD/IUPAC Name]
(9β,11β,14β)-11-Hydroxy-3,20-dioxopregn-4-en-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8α,11α,17α)-11-hydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Acétate de (9β,11β,14β)-11-hydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (8α,11α,17α)- [ACD/Index Name]
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (9β,11β,14β)- [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: 542.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 183.6±23.6 °C
Index of Refraction: 1.556
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.61
ACD/KOC (pH 5.5): 633.54
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.61
ACD/KOC (pH 7.4): 633.54
Polar Surface Area: 81 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 322.2±5.0 cm3

Click to predict properties on the Chemicalize site


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