ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17alpha)-3-Hydroxy-20-oxopregn-5-en-17-yl acetate | C23H34O4

(8α,9β,10α,13α,14β,17α)-3-Hydroxy-20-oxopregn-5-en-17-yl acetate

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID78359987

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β,17α)-3-Hydroxy-20-oxopregn-5-en-17-yl acetate [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-3-Hydroxy-20-oxopregn-5-en-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8α,9β,10α,13α,14β,17α)-3-hydroxy-20-oxoprégn-5-én-17-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 17-(acetyloxy)-3-hydroxy-, (8α,9β,10α,13α,14β,17α)- [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: 486.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.7±6.0 kJ/mol
Flash Point: 160.9±22.2 °C
Index of Refraction: 1.550
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 721.98
ACD/KOC (pH 5.5): 3870.20
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 721.98
ACD/KOC (pH 7.4): 3870.20
Polar Surface Area: 64 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 325.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement