ChemSpider 2D Image | (8alpha,14beta,17alpha)-3,20-Dioxo-19-norpregn-4-en-17-yl acetate | C22H30O4

(8α,14β,17α)-3,20-Dioxo-19-norpregn-4-en-17-yl acetate

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID62451627

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,14β,17α)-3,20-Dioxo-19-norpregn-4-en-17-yl acetate [ACD/IUPAC Name]
(8α,14β,17α)-3,20-Dioxo-19-norpregn-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
(8α,9β,10α,14β)-3,20-Dioxo-19-norpregn-4-en-17-yl acetate [ACD/IUPAC Name]
(8α,9β,10α,14β)-3,20-Dioxo-19-norpregn-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8α,14β,17α)-3,20-dioxo-19-norprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Acétate de (8α,9β,10α,14β)-3,20-dioxo-19-norprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-acetyl-17-(acetyloxy)-, (8α,14β,17α)- [ACD/Index Name]
Estr-4-en-3-one, 17-acetyl-17-(acetyloxy)-, (8α,9β,10α,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: 490.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 212.8±28.8 °C
Index of Refraction: 1.545
Molar Refractivity: 97.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 253.60
ACD/KOC (pH 5.5): 1830.21
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 253.60
ACD/KOC (pH 7.4): 1830.21
Polar Surface Area: 60 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 308.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement