ChemSpider 2D Image | (3beta,5alpha)-18,20-Epoxypregnane-3,20,21-triol | C21H34O4

(3β,5α)-18,20-Epoxypregnane-3,20,21-triol

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID31129983
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(3β,5α)-18,20-Epoxypregnan-3,20,21-triol [German] [ACD/IUPAC Name]
(3β,5α)-18,20-Epoxypregnane-3,20,21-triol [ACD/IUPAC Name]
(3β,5α)-18,20-Époxyprégnane-3,20,21-triol [French] [ACD/IUPAC Name]
Pregnane-3,20,21-triol, 18,20-epoxy-, (3β,5α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 521.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 269.3±23.2 °C
Index of Refraction: 1.589
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.85
ACD/KOC (pH 5.5): 912.08
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.85
ACD/KOC (pH 7.4): 912.07
Polar Surface Area: 70 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 282.9±5.0 cm3

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