ChemSpider 2D Image | (11beta,13xi)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al | C21H28O5

(11β,13ξ)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID58817388

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(11β,13ξ)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al [German] [ACD/IUPAC Name]
(11β,13ξ)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al [ACD/IUPAC Name]
(11β,13ξ)-11,21-Dihydroxy-3,20-dioxoprégn-4-én-18-al [French] [ACD/IUPAC Name]
Pregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11β,13ξ)- [ACD/Index Name]
52-39-1 [RN]
Aldosterone [BAN] [INN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 311.4±26.6 °C
Index of Refraction: 1.586
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 91.26
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 91.26
Polar Surface Area: 92 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 281.3±5.0 cm3

Click to predict properties on the Chemicalize site


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