ChemSpider 2D Image | (8xi,9xi,14xi)-17-Hydroxy-3,20-dioxo(2,2,4,6,6,21,21-~2~H_7_)pregn-4-en-21-yl propionate | C24H27D7O5

(8ξ,9ξ,14ξ)-17-Hydroxy-3,20-dioxo(2,2,4,6,6,21,21-2H7)pregn-4-en-21-yl propionate

  • Molecular FormulaC24H27D7O5
  • Average mass409.567 Da
  • Monoisotopic mass409.284546 Da
  • ChemSpider ID110806699

  • defined stereocentres - 3 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8ξ,9ξ,14ξ)-17-Hydroxy-3,20-dioxo(2,2,4,6,6,21,21-2H7)pregn-4-en-21-yl propionate [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-17-Hydroxy-3,20-dioxo(2,2,4,6,6,21,21-2H7)pregn-4-en-21-ylpropionat [German] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione-2,2,4,6,6,21,21-d7, 17-hydroxy-21-(1-oxopropoxy)-, (8ξ,9ξ,14ξ)- [ACD/Index Name]
Propionate de (8ξ,9ξ,14ξ)-17-hydroxy-3,20-dioxo(2,2,4,6,6,21,21-2H7)prégn-4-én-21-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: 548.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.1±6.0 kJ/mol
Flash Point: 183.0±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: 4.36
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 356.43
ACD/KOC (pH 5.5): 2335.12
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 356.43
ACD/KOC (pH 7.4): 2335.10
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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