ChemSpider 2D Image | (5alpha,8xi,9xi,14xi)-21-Hydroxypregnane-3,20-dione | C21H32O3

(5α,8ξ,9ξ,14ξ)-21-Hydroxypregnane-3,20-dione

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID24823329

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(5α,8ξ,9ξ,14ξ)-21-Hydroxypregnan-3,20-dion [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,14ξ)-21-Hydroxypregnane-3,20-dione [ACD/IUPAC Name]
(5α,8ξ,9ξ,14ξ)-21-Hydroxyprégnane-3,20-dione [French] [ACD/IUPAC Name]
Pregnane-3,20-dione, 21-hydroxy-, (5α,8ξ,9ξ,14ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.3±6.0 kJ/mol
Flash Point: 251.3±22.4 °C
Index of Refraction: 1.531
Molar Refractivity: 92.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.75
ACD/KOC (pH 5.5): 1586.71
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.75
ACD/KOC (pH 7.4): 1586.71
Polar Surface Area: 54 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 299.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement