ChemSpider 2D Image | (8alpha,11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl butyrate | C25H36O6

(8α,11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl butyrate

  • Molecular FormulaC25H36O6
  • Average mass432.550 Da
  • Monoisotopic mass432.251190 Da
  • ChemSpider ID78429973

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl butyrate [ACD/IUPAC Name]
(8α,11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (8α,11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
Butyrate de (8α,11β)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [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: 594.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 197.7±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.43
ACD/KOC (pH 5.5): 1394.38
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.43
ACD/KOC (pH 7.4): 1394.37
Polar Surface Area: 101 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 351.5±5.0 cm3

Click to predict properties on the Chemicalize site


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