ChemSpider 2D Image | (11beta,13xi)-21-Acetoxy-11-hydroxy-3,20-dioxopregn-4-en-17-yl propionate | C26H36O7

(11β,13ξ)-21-Acetoxy-11-hydroxy-3,20-dioxopregn-4-en-17-yl propionate

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID58817492

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(11β,13ξ)-21-Acetoxy-11-hydroxy-3,20-dioxopregn-4-en-17-yl propionate [ACD/IUPAC Name]
(11β,13ξ)-21-Acetoxy-11-hydroxy-3,20-dioxopregn-4-en-17-ylpropionat [German] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-(1-oxopropoxy)-, (11β,13ξ)- [ACD/Index Name]
Propionate de (11β,13ξ)-21-acétoxy-11-hydroxy-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
74050-20-7 [RN]
hydrocortisone aceponate [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 192.4±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 245.95
ACD/KOC (pH 5.5): 1790.48
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.95
ACD/KOC (pH 7.4): 1790.48
Polar Surface Area: 107 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 373.2±5.0 cm3

Click to predict properties on the Chemicalize site


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