Found 11 results

Search term: UMAIDVARGWSZLM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (20S)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione | C21H28O5

(20S)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID103883365

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(20S)-17,20,21-Trihydroxypregna-1,4-dien-3,11-dion [German] [ACD/IUPAC Name]
(20S)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione [ACD/IUPAC Name]
(20S)-17,20,21-Trihydroxyprégna-1,4-diène-3,11-dione [French] [ACD/IUPAC Name]
600-93-1 [RN]
Pregna-1,4-diene-3,11-dione, 17,20,21-trihydroxy-, (20S)- [ACD/Index Name]
(1R,3aS,3bS,9aR,9bS,11aS)-1-[(1S)-1,2-dihydroxyethyl]-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione
(20S)-hydroxyprednisone
20β-dihydro-prednisone
20β-Dihydroprednisone
  • Miscellaneous

    • Chemical Class:

      A glucocorticoid that is prednisone in which the oxo group at position 20 is replaced by a hydroxy group. It is a metabolite of prednisone found in human urine. ChEBI CHEBI:182970

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 327.3±26.6 °C
Index of Refraction: 1.612
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 76.11
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 76.11
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 274.7±5.0 cm3

Click to predict properties on the Chemicalize site


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