ChemSpider 2D Image | (2S)-1-[(8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-1-oxo-2-propanyl (~2~H_3_)acetate (non- preferred name) | C24H28D3FO6

(2S)-1-[(8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-1-oxo-2-propanyl (2H3)acetate (non- preferred name)

  • Molecular FormulaC24H28D3FO6
  • Average mass437.516 Da
  • Monoisotopic mass437.229309 Da
  • ChemSpider ID58784185

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Acétate de (2S)-1-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-diméthyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-17-yl]-1-oxo-2-propanyle ( non-preferred name) [French] [ACD/IUPAC Name]
(2S)-1-[(8S,9R,10S,11S,13S,14S,17R)-9-Fluor-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-1-oxo-2-propanyl-(2H3)acetat (non-pr ; eferred name) [German] [ACD/IUPAC Name]
(2S)-1-[(8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-1-oxo-2-propanyl (2H3)acetate (non- preferred name) [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: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.97
ACD/KOC (pH 5.5): 675.17
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.97
ACD/KOC (pH 7.4): 675.16
Polar Surface Area: 101 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 334.0±5.0 cm3

Click to predict properties on the Chemicalize site


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