ChemSpider 2D Image | (9xi,11beta)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al | C21H28O5

(9ξ,11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID91325500

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(9ξ,11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al [German] [ACD/IUPAC Name]
(9ξ,11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al [ACD/IUPAC Name]
(9ξ,11β)-11,17-Dihydroxy-3,20-dioxoprégn-4-én-21-al [French] [ACD/IUPAC Name]
Pregn-4-en-21-al, 11,17-dihydroxy-3,20-dioxo-, (9ξ,11β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 292.1±26.6 °C
Index of Refraction: 1.586
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.35
ACD/KOC (pH 5.5): 115.65
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.35
ACD/KOC (pH 7.4): 115.65
Polar Surface Area: 92 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 281.1±5.0 cm3

Click to predict properties on the Chemicalize site


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