ChemSpider 2D Image | 17-VALERATE-21-ACETATE PREDNISOLONE | C28H38O7

17-VALERATE-21-ACETATE PREDNISOLONE

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID23089219

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-21-(acetyloxy)-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
(8ξ,9ξ,14ξ)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-ylvalerat [German] [ACD/IUPAC Name]
17-VALERATE-21-ACETATE PREDNISOLONE
Pentanoic acid, (8ξ,9ξ,14ξ)-21-(acetyloxy)-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
Valérate de (8ξ,9ξ,14ξ)-21-acétoxy-11-hydroxy-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
MFCD00868950 [MDL number]

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 196.3±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 616.20
ACD/KOC (pH 5.5): 3455.30
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 616.20
ACD/KOC (pH 7.4): 3455.30
Polar Surface Area: 107 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 398.7±5.0 cm3

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