ChemSpider 2D Image | MFCD03935203 | C23H32O6

MFCD03935203

  • Molecular FormulaC23H32O6
  • Average mass404.497 Da
  • Monoisotopic mass404.219879 Da
  • ChemSpider ID22889278

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ)-17-Hydroxy-3,11,20-trioxopregnan-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8ξ,9ξ,10ξ,13ξ,14ξ)-17-hydroxy-3,11,20-trioxoprégnan-21-yle [French] [ACD/IUPAC Name]
MFCD03935203
Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (8ξ,9ξ,10ξ,13ξ,14ξ)- [ACD/Index Name]
11-β,17-α-DIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL ACETATE
17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate [ACD/IUPAC Name]
17α,21-DIHYDROXY-5β-PREGNANE-3,11,20-TRIONE 21-ACETATE
17-α-HYDROXY-3,11,20-TRIOXO-5-β-PREGNAN-21-YL ACETATE
5-β-PREGNANE-17-α,21-DIOL-3,11,20-TRIONE 21-ACETATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 556.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 187.9±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.60
ACD/KOC (pH 5.5): 457.91
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.60
ACD/KOC (pH 7.4): 457.91
Polar Surface Area: 98 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 330.3±3.0 cm3

Click to predict properties on the Chemicalize site


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