ChemSpider 2D Image | (8alpha,9beta,10alpha,11alpha,13alpha,14beta,17alpha)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 3-cyclopentylpropanoate | C29H42O6

(8α,9β,10α,11α,13α,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 3-cyclopentylpropanoate

  • Molecular FormulaC29H42O6
  • Average mass486.640 Da
  • Monoisotopic mass486.298126 Da
  • ChemSpider ID114553723

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,9β,10α,11α,13α,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 3-cyclopentylpropanoate [ACD/IUPAC Name]
(8α,9β,10α,11α,13α,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl-3-cyclopentylpropanoat [German] [ACD/IUPAC Name]
3-Cyclopentylpropanoate de (8α,9β,10α,11α,13α,14β,17α)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Cyclopentanepropanoic acid, (8α,9β,10α,11α,13α,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: 1.2±0.1 g/cm3
Boiling Point: 645.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 208.4±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1244.86
ACD/KOC (pH 5.5): 5715.92
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1244.84
ACD/KOC (pH 7.4): 5715.85
Polar Surface Area: 101 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 397.7±5.0 cm3

Click to predict properties on the Chemicalize site


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