ChemSpider 2D Image | GW-870086 | C31H39F2NO6

GW-870086

  • Molecular FormulaC31H39F2NO6
  • Average mass559.641 Da
  • Monoisotopic mass559.274536 Da
  • ChemSpider ID9551309

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-méthyl-3-oxo-17-{[(2,2,3,3-tétraméthylcyclopropyl)carbonyl]oxy}androsta-1,4-diène-17-carboxylate de cyanométhyle [French] [ACD/IUPAC Name]
827319-43-7 [RN]
Androsta-1,4-diene-17-carboxylic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-[[(2,2,3,3-tetramethylcyclopropyl)carbonyl]oxy]-, cyanomethyl ester, (6α,11β,16α,17α)- [ACD/Index Name]
Cyanmethyl-(6α,11β,16α,17α)-6,9-difluor-11-hydroxy-16-methyl-3-oxo-17-{[(2,2,3,3-tetramethylcyclopropyl)carbonyl]oxy}androsta-1,4-dien-17-carboxylat [German] [ACD/IUPAC Name]
Cyanomethyl (6α,11β,16α,17α)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-{[(2,2,3,3-tetramethylcyclopropyl)carbonyl]oxy}androsta-1,4-diene-17-carboxylate [ACD/IUPAC Name]
GW-870086
Androsta-1,4-diene-17-carboxylic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(((2,2,3,3-tetramethylcyclopropyl)carbonyl)oxy)-, cyanomethyl ester, (6α,11β,16α,17α)-
cyanomethyl (6{S},8{S},9{R},10{S},11{S},13{S},14{S},16{R},17~{R})-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
cyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
GW870086
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 630.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 106.9±6.0 kJ/mol
    Flash Point: 335.2±31.5 °C
    Index of Refraction: 1.556
    Molar Refractivity: 140.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.88
    ACD/LogD (pH 5.5): 4.84
    ACD/BCF (pH 5.5): 2832.68
    ACD/KOC (pH 5.5): 10296.22
    ACD/LogD (pH 7.4): 4.84
    ACD/BCF (pH 7.4): 2832.66
    ACD/KOC (pH 7.4): 10296.15
    Polar Surface Area: 114 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 50.1±5.0 dyne/cm
    Molar Volume: 437.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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