ChemSpider 2D Image | 18-Oxocortisol | C21H28O6

18-Oxocortisol

  • Molecular FormulaC21H28O6
  • Average mass376.443 Da
  • Monoisotopic mass376.188599 Da
  • ChemSpider ID24840619

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β,17α)-11,17,21-Trihydroxy-3,20-dioxopregn-4-en-18-al [ACD/IUPAC Name]
(11β,17α)-11,17,21-Trihydroxy-3,20-dioxopregn-4-en-18-al [German] [ACD/IUPAC Name]
(11β,17α)-11,17,21-Trihydroxy-3,20-dioxoprégn-4-én-18-al [French] [ACD/IUPAC Name]
18-Oxocortisol
Pregn-4-en-18-al, 11,17,21-trihydroxy-3,20-dioxo-, (11β,17α)- [ACD/Index Name]
(1S,2R,10S,11S,14S,15R,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-15-carbaldehyde
(1S,2R,10S,11S,14S,15R,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-15-carbaldehyde
11b,17,21-Trihydroxy-3,20-dioxo-pregn-4-en-18-al
2410-60-8 [RN]

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.4±6.0 kJ/mol
Flash Point: 334.6±28.0 °C
Index of Refraction: 1.605
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.11
ACD/KOC (pH 5.5): 59.38
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.11
ACD/KOC (pH 7.4): 59.38
Polar Surface Area: 112 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 278.4±5.0 cm3

Click to predict properties on the Chemicalize site


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