ChemSpider 2D Image | (3alpha,8xi,9xi,11beta,14xi)-3,11,17,21-Tetrahydroxypregnan-20-one | C21H34O5

(3α,8ξ,9ξ,11β,14ξ)-3,11,17,21-Tetrahydroxypregnan-20-one

  • Molecular FormulaC21H34O5
  • Average mass366.492 Da
  • Monoisotopic mass366.240631 Da
  • ChemSpider ID21506239
  • defined stereocentres - 5 of 9 defined stereocentres


More details:






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

(3α,8ξ,9ξ,11β,14ξ)-3,11,17,21-Tetrahydroxypregnan-20-on [German] [ACD/IUPAC Name]
(3α,8ξ,9ξ,11β,14ξ)-3,11,17,21-Tetrahydroxypregnan-20-one [ACD/IUPAC Name]
(3α,8ξ,9ξ,11β,14ξ)-3,11,17,21-Tétrahydroxyprégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3α,8ξ,9ξ,11β,14ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 297.6±26.6 °C
Index of Refraction: 1.579
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.83
ACD/KOC (pH 5.5): 204.03
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.83
ACD/KOC (pH 7.4): 204.03
Polar Surface Area: 98 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

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