ChemSpider 2D Image | (9xi,11beta)-11,17,21-Trihydroxypregn-4-ene-3,20-dione | C21H30O5

(9ξ,11β)-11,17,21-Trihydroxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID23261995

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(9ξ,11β)-11,17,21-Trihydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(9ξ,11β)-11,17,21-Trihydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(9ξ,11β)-11,17,21-Trihydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (9ξ,11β)- [ACD/Index Name]
(8S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
18-Hydroxycorticosterone [Wiki]
561-65-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 310.4±26.6 °C
Index of Refraction: 1.595
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.74
ACD/KOC (pH 5.5): 190.35
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.74
ACD/KOC (pH 7.4): 190.34
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 281.4±5.0 cm3

Click to predict properties on the Chemicalize site


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