ChemSpider 2D Image | (6alpha)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione | C22H30O5

(6α)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID18497667

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(6α)-11,17,21-Trihydroxy-6-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6α)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6α)-11,17,21-Trihydroxy-6-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6α)- [ACD/Index Name]
(6S,8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
1100751-15-2 [RN]
6-α-Methylprednisolone
Methylprednisolone [BAN] [INN] [JAN] [USAN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 571.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 313.7±26.6 °C
Index of Refraction: 1.603
Molar Refractivity: 100.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.39
ACD/KOC (pH 5.5): 279.82
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.39
ACD/KOC (pH 7.4): 279.82
Polar Surface Area: 95 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 291.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement