ChemSpider 2D Image | (1R,2S,3aS,3bS,9aS,9bR,10S,11aR)-11a-(2-chloroacetyl)-9b-fluoro-10-hydroxy-1,2,9a-trimethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,10H,11H-cyclopenta[a]phenanthren-1-yl propanoate | C25H32ClFO5

(1R,2S,3aS,3bS,9aS,9bR,10S,11aR)-11a-(2-chloroacetyl)-9b-fluoro-10-hydroxy-1,2,9a-trimethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,10H,11H-cyclopenta[a]phenanthren-1-yl propanoate

  • Molecular FormulaC25H32ClFO5
  • Average mass466.970 Da
  • Monoisotopic mass466.192230 Da
  • ChemSpider ID21111885

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3aS,3bS,9aS,9bR,10S,11aR)-11a-(2-chloroacetyl)-9b-fluoro-10-hydroxy-1,2,9a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
(1R,2S,3aS,3bS,9aS,9bR,10S,11aR)-11a-(2-chloroacetyl)-9b-fluoro-10-hydroxy-1,2,9a-trimethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,10H,11H-cyclopenta[a]phenanthren-1-yl propanoate
(8S,9R,10S,11S,13R,14S,16S,17R)-13-(Chloracetyl)-9-fluor-11-hydroxy-10,16,17-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-ylpropionat [German] [ACD/IUPAC Name]
(8S,9R,10S,11S,13R,14S,16S,17R)-13-(chloroacetyl)-9-fluoro-11-hydroxy-10,16,17-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propanoate (non-preferred name)
(8S,9R,10S,11S,13R,14S,16S,17R)-13-(Chloroacetyl)-9-fluoro-11-hydroxy-10,16,17-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate (non-preferred n ame) [ACD/IUPAC Name]
(8S,9R,10S,11S,13R,14S,16S,17R)-13-(Chloroacetyl)-9-fluoro-11-hydroxy-10,16,17-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate (non-preferred name)
Propionate de (8S,9R,10S,11S,13R,14S,16S,17R)-13-(2-chloroacétyl)-9-fluoro-11-hydroxy-10,16,17-triméthyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-17-yle (non-prefe rred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.95
ACD/KOC (pH 5.5): 1510.57
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.95
ACD/KOC (pH 7.4): 1510.56
Polar Surface Area: 81 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 364.1±5.0 cm3

Click to predict properties on the Chemicalize site


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