ChemSpider 2D Image | (11beta,20R)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one | C21H30O5

(11β,20R)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID27524367

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,20R)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-on [German] [ACD/IUPAC Name]
(11β,20R)-11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one [ACD/IUPAC Name]
(11β,20R)-11,17,20,21-Tétrahydroxyprégna-1,4-dién-3-one [French] [ACD/IUPAC Name]
15847-24-2 [RN]
Pregna-1,4-dien-3-one, 11,17,20,21-tetrahydroxy-, (11β,20R)- [ACD/Index Name]
(20R)-11β,17,20,21-tetrahydroxypregna-1,4-dien-3-one
(20R)-11β,17α,20,21-Tetrahydroxypregna-1,4-dien-3-one
(20R)-Hydroxyprednisolone
(8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
20(R)-Hydroxy Prednisolone
More...
  • Miscellaneous

    • Chemical Class:

      A glucocorticoid that is prednisolone in which the oxo group at position 20 has been reduced to the corresponding alpha-hydroxy group. It is a metabolite of prednisolone. ChEBI CHEBI:166776

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 325.3±26.6 °C
Index of Refraction: 1.620
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 99.07
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 99.07
Polar Surface Area: 98 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 275.8±5.0 cm3

Click to predict properties on the Chemicalize site


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