ChemSpider 2D Image | (3alpha,5alpha,8alpha,9beta,13alpha)-3,17-Dihydroxy-11,20-dioxopregnan-21-yl acetate | C23H34O6

(3α,5α,8α,9β,13α)-3,17-Dihydroxy-11,20-dioxopregnan-21-yl acetate

  • Molecular FormulaC23H34O6
  • Average mass406.513 Da
  • Monoisotopic mass406.235535 Da
  • ChemSpider ID62537065

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,5α,8α,9β,13α)-3,17-Dihydroxy-11,20-dioxopregnan-21-yl acetate [ACD/IUPAC Name]
(3α,5α,8α,9β,13α)-3,17-Dihydroxy-11,20-dioxopregnan-21-yl-acetat [German] [ACD/IUPAC Name]
(3β,5β,8α,9β,13α,14β)-3,17-Dihydroxy-11,20-dioxopregnan-21-yl acetate [ACD/IUPAC Name]
(3β,5β,8α,9β,13α,14β)-3,17-Dihydroxy-11,20-dioxopregnan-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,5α,8α,9β,13α)-3,17-dihydroxy-11,20-dioxoprégnan-21-yle [French] [ACD/IUPAC Name]
Acétate de (3β,5β,8α,9β,13α,14β)-3,17-dihydroxy-11,20-dioxoprégnan-21-yle [French] [ACD/IUPAC Name]
Pregnane-11,20-dione, 21-(acetyloxy)-3,17-dihydroxy-, (3α,5α,8α,9β,13α)- [ACD/Index Name]
Pregnane-11,20-dione, 21-(acetyloxy)-3,17-dihydroxy-, (3β,5β,8α,9β,13α,14β)- [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: 557.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 187.4±23.6 °C
Index of Refraction: 1.549
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.33
ACD/KOC (pH 5.5): 499.50
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.33
ACD/KOC (pH 7.4): 499.49
Polar Surface Area: 101 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 330.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement