ChemSpider 2D Image | (20R)-6,7-didehydro-20-hydroxy-6-methylprednisolone | C22H30O5

(20R)-6,7-didehydro-20-hydroxy-6-methylprednisolone

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID52083741

  • 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-Tetrahydroxy-6-methylpregna-1,4,6-trien-3-on [German] [ACD/IUPAC Name]
(11β,20R)-11,17,20,21-Tetrahydroxy-6-methylpregna-1,4,6-trien-3-one [ACD/IUPAC Name]
(11β,20R)-11,17,20,21-Tétrahydroxy-6-méthylprégna-1,4,6-trién-3-one [French] [ACD/IUPAC Name]
(20R)-6,7-didehydro-20-hydroxy-6-methylprednisolone
1361384-42-0 [RN]
Pregna-1,4,6-trien-3-one, 11,17,20,21-tetrahydroxy-6-methyl-, (11β,20R)- [ACD/Index Name]
6,7-DIDEHYDRO-20-HYDROXY-6-METHYLPREDNISOLONE, (20R)-

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

595B86Q648 [DBID]
UNII:595B86Q648 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 606.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.5±6.0 kJ/mol
Flash Point: 334.9±28.0 °C
Index of Refraction: 1.628
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 65.38
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.41
ACD/KOC (pH 7.4): 65.38
Polar Surface Area: 98 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 285.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement