ChemSpider 2D Image | (3beta,13xi)-19-Hydroxy-20-oxopregn-5-en-3-yl acetate | C23H34O4

(3β,13ξ)-19-Hydroxy-20-oxopregn-5-en-3-yl acetate

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID58816926

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β,13ξ)-19-Hydroxy-20-oxopregn-5-en-3-yl acetate [ACD/IUPAC Name]
(3β,13ξ)-19-Hydroxy-20-oxopregn-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,13ξ)-19-hydroxy-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-(acetyloxy)-19-hydroxy-, (3β,13ξ)- [ACD/Index Name]
26360-40-7 [RN]
PREGN-5-EN-20-ONE,3-(ACETYLOXY)-19-HYDROXY-, (3B)- (9CI)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 165.3±22.2 °C
Index of Refraction: 1.549
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 452.75
ACD/KOC (pH 5.5): 2771.18
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.75
ACD/KOC (pH 7.4): 2771.18
Polar Surface Area: 64 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 325.3±5.0 cm3

Click to predict properties on the Chemicalize site


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