ChemSpider 2D Image | (8alpha,9beta,10alpha,11beta,13alpha,14beta,17alpha)-3,20-Dioxopregn-4-ene-11,17,21-triyl triacetate | C27H36O8

(8α,9β,10α,11β,13α,14β,17α)-3,20-Dioxopregn-4-ene-11,17,21-triyl triacetate

  • Molecular FormulaC27H36O8
  • Average mass488.570 Da
  • Monoisotopic mass488.241028 Da
  • ChemSpider ID113598041

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(8α,9β,10α,11β,13α,14β,17α)-3,20-Dioxopregn-4-en-11,17,21-triyl-triacetat [German] [ACD/IUPAC Name]
(8α,9β,10α,11β,13α,14β,17α)-3,20-Dioxopregn-4-ene-11,17,21-triyl triacetate [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 11,17,21-tris(acetyloxy)-, (8α,9β,10α,11β,13α,14β,17α)- [ACD/Index Name]
Triacétate de (8α,9β,10α,11β,13α,14β,17α)-3,20-dioxoprégn-4-ène-11,17,21-triyle [French] [ACD/IUPAC 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: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 247.9±30.2 °C
Index of Refraction: 1.542
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 235.36
ACD/KOC (pH 5.5): 1734.98
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 235.36
ACD/KOC (pH 7.4): 1734.98
Polar Surface Area: 113 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 394.8±5.0 cm3

Click to predict properties on the Chemicalize site


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