ChemSpider 2D Image | 1-{(8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,16,17-tris[(~2~H)hydroxy]-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl}-3-(~2~H)hydroxy-1,2-propanedio ne | C22H23D4FO7

1-{(8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,16,17-tris[(2H)hydroxy]-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl}-3-(2H)hydroxy-1,2-propanedio ne

  • Molecular FormulaC22H23D4FO7
  • Average mass426.469 Da
  • Monoisotopic mass426.199188 Da
  • ChemSpider ID169447

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-{(8S,10S,11S,13S,14S,16R,17R)-9-Fluor-11,16,17-tris[(2H)hydroxy]-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl}-3-(2H)hydroxy-1,2-propandion (non-preferred name) [German] [ACD/IUPAC Name]
1-{(8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,16,17-tris[(2H)hydroxy]-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl}-3-(2H)hydroxy-1,2-propanedio ne [ACD/IUPAC Name]
1-{(8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,16,17-tris[(2H)hydroxy]-10,13-diméthyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-17-yl}-3-(2H)hydroxy-1,2-propanedio ne [French] [ACD/IUPAC Name]
124979-27-7 [RN]
9-Fluoro-11,16,17-trihydroxy-17-hydroxymethyl-D-homoandrosta-1,4-diene-3,17-dione
fl-Thha

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.88
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.87
Polar Surface Area: 132 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 290.3±5.0 cm3

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