ChemSpider 2D Image | (3alpha,5beta,11alpha,18R)-3,18,21-Trihydroxy-11,18-epoxypregnan-20-one | C21H32O5

(3α,5β,11α,18R)-3,18,21-Trihydroxy-11,18-epoxypregnan-20-one

  • Molecular FormulaC21H32O5
  • Average mass364.476 Da
  • Monoisotopic mass364.224976 Da
  • ChemSpider ID31047230
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3α,5β,11α,18R)-3,18,21-Trihydroxy-11,18-epoxypregnan-20-on [German] [ACD/IUPAC Name]
(3α,5β,11α,18R)-3,18,21-Trihydroxy-11,18-epoxypregnan-20-one [ACD/IUPAC Name]
(3α,5β,11α,18R)-3,18,21-Trihydroxy-11,18-époxyprégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 11,18-epoxy-3,18,21-trihydroxy-, (3α,5β,11α,18R)- [ACD/Index Name]
13489-75-3 [RN]
Tetrahydro Aldosterone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 195.4±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 98.54
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 98.54
Polar Surface Area: 87 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 280.6±5.0 cm3

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