ChemSpider 2D Image | Betamethasone 17-propionate | C25H33FO6

Betamethasone 17-propionate

  • Molecular FormulaC25H33FO6
  • Average mass448.524 Da
  • Monoisotopic mass448.226105 Da
  • ChemSpider ID29367866

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(9ξ,11β,16β)-9-Fluor-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
(9ξ,11β,16β)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate [ACD/IUPAC Name]
Betamethasone 17-propionate [BAN] [INN] [JAN] [USAN]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)-, (9ξ,11β,16β)- [ACD/Index Name]
Propionate de (9ξ,11β,16β)-9-fluoro-11,21-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
(8S,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate
9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione17-propionate
betamethasone propionate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 304.3±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.34
ACD/KOC (pH 5.5): 1105.16
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.34
ACD/KOC (pH 7.4): 1105.15
Polar Surface Area: 101 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 350.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement