ChemSpider 2D Image | (8alpha,11beta,14beta,17alpha)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl cyclopentanecarboxylate | C27H38O6

(8α,11β,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl cyclopentanecarboxylate

  • Molecular FormulaC27H38O6
  • Average mass458.587 Da
  • Monoisotopic mass458.266846 Da
  • ChemSpider ID26360786

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,11β,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl cyclopentanecarboxylate [ACD/IUPAC Name]
(8α,11β,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl-cyclopentancarboxylat [German] [ACD/IUPAC Name]
Cyclopentanecarboxylate de (8α,11β,14β,17α)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, (8α,11β,14β,17α)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 207.3±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.25
ACD/KOC (pH 5.5): 2015.84
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.24
ACD/KOC (pH 7.4): 2015.81
Polar Surface Area: 101 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 365.6±5.0 cm3

Click to predict properties on the Chemicalize site


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