ChemSpider 2D Image | (3alpha,5beta,10xi,13xi)-3,17,21-Trihydroxypregnan-20-one | C21H34O4

(3α,5β,10ξ,13ξ)-3,17,21-Trihydroxypregnan-20-one

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID58818060

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3α,5β,10ξ,13ξ)-3,17,21-Trihydroxypregnan-20-on [German] [ACD/IUPAC Name]
(3α,5β,10ξ,13ξ)-3,17,21-Trihydroxypregnan-20-one [ACD/IUPAC Name]
(3α,5β,10ξ,13ξ)-3,17,21-Trihydroxyprégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 3,17,21-trihydroxy-, (3α,5β,10ξ,13ξ)- [ACD/Index Name]
68-60-0 [RN]
Tetrahydro-11-deoxy cortisol
Tetrahydro-S

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 273.4±21.1 °C
Index of Refraction: 1.561
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.54
ACD/KOC (pH 5.5): 990.37
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.54
ACD/KOC (pH 7.4): 990.36
Polar Surface Area: 78 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 295.3±3.0 cm3

Click to predict properties on the Chemicalize site


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