ChemSpider 2D Image | (9beta,14beta,17alpha)-21-Hydroxy-3,20-dioxopregn-4-en-17-yl propionate | C24H34O5

(9β,14β,17α)-21-Hydroxy-3,20-dioxopregn-4-en-17-yl propionate

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID114391720

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(9β,14β,17α)-21-Hydroxy-3,20-dioxopregn-4-en-17-yl propionate [ACD/IUPAC Name]
(9β,14β,17α)-21-Hydroxy-3,20-dioxopregn-4-en-17-ylpropionat [German] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 21-hydroxy-17-(1-oxopropoxy)-, (9β,14β,17α)- [ACD/Index Name]
Propionate de (9β,14β,17α)-21-hydroxy-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC 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: 538.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 179.3±23.6 °C
Index of Refraction: 1.555
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 275.56
ACD/KOC (pH 5.5): 1942.30
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 275.56
ACD/KOC (pH 7.4): 1942.29
Polar Surface Area: 81 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 337.5±5.0 cm3

Click to predict properties on the Chemicalize site


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