ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi)-21-Hydroxy-3,20-dioxopregn-4-en-17-yl acetate | C23H32O5

(8ξ,9ξ,10ξ,13ξ,14ξ)-21-Hydroxy-3,20-dioxopregn-4-en-17-yl acetate

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID21470811

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ)-21-Hydroxy-3,20-dioxopregn-4-en-17-yl acetate [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ)-21-Hydroxy-3,20-dioxopregn-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8ξ,9ξ,10ξ,13ξ,14ξ)-21-hydroxy-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-21-hydroxy-, (8ξ,9ξ,10ξ,13ξ,14ξ)- [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: 528.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 177.9±23.6 °C
Index of Refraction: 1.558
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: 3.23
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.90
ACD/KOC (pH 5.5): 1250.14
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.90
ACD/KOC (pH 7.4): 1250.14
Polar Surface Area: 81 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 321.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement