ChemSpider 2D Image | TETRAHYDROCORTICOSTERONE | C21H34O4

TETRAHYDROCORTICOSTERONE

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID17215927
  • defined stereocentres - 5 of 9 defined stereocentres


More details:






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

TETRAHYDROCORTICOSTERONE
3,11,21-Trihydroxypregnan-20-on [German] [ACD/IUPAC Name]
3,11,21-Trihydroxypregnan-20-one [ACD/IUPAC Name]
3,11,21-Trihydroxyprégnan-20-one [French] [ACD/IUPAC Name]
68-42-8 [RN]
Pregnan-20-one, 3,11,21-trihydroxy- [ACD/Index Name]
(3a,5b,11b)-3,11,21-trihydroxy-Pregnan-20-one
3a,11b,21-Trihydroxy-5b-pregnan-20-one
3a,5b-Tetrahydrocorticosterone
5b-Pregnane-3a,11b,21-triol-20-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 276.1±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.38
ACD/KOC (pH 5.5): 381.64
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.38
ACD/KOC (pH 7.4): 381.64
Polar Surface Area: 78 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 296.9±3.0 cm3

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