ChemSpider 2D Image | (3alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha)-20-Oxopregn-5-ene-3,17-diyl diacetate | C25H36O5

(3α,8α,9β,10α,13α,14β,17α)-20-Oxopregn-5-ene-3,17-diyl diacetate

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID111310380

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,8α,9β,10α,13α,14β,17α)-20-Oxopregn-5-en-3,17-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,8α,9β,10α,13α,14β,17α)-20-Oxopregn-5-ene-3,17-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3α,8α,9β,10α,13α,14β,17α)-20-oxoprégn-5-ène-3,17-diyle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3,17-bis(acetyloxy)-, (3α,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: 1.1±0.1 g/cm3
Boiling Point: 495.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 211.0±28.8 °C
Index of Refraction: 1.535
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2241.30
ACD/KOC (pH 5.5): 8707.33
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2241.30
ACD/KOC (pH 7.4): 8707.33
Polar Surface Area: 70 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 363.0±5.0 cm3

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