ChemSpider 2D Image | [(6S,8S,9R,10S,11S,13R,14S,16R,17S)-6,9-Difluoro-11-hydroxy-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]acetic pentanoic anhydride (non-prefe rred name) | C27H36F2O5

[(6S,8S,9R,10S,11S,13R,14S,16R,17S)-6,9-Difluoro-11-hydroxy-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]acetic pentanoic anhydride (non-prefe rred name)

  • Molecular FormulaC27H36F2O5
  • Average mass478.569 Da
  • Monoisotopic mass478.253082 Da
  • ChemSpider ID74038463

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(6S,8S,9R,10S,11S,13R,14S,16R,17S)-6,9-Difluor-11-hydroxy-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]essigsäurepentansäureanhydrid (non-pre ferred name) [German] [ACD/IUPAC Name]
[(6S,8S,9R,10S,11S,13R,14S,16R,17S)-6,9-Difluoro-11-hydroxy-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]acetic pentanoic anhydride (non-prefe rred name) [ACD/IUPAC Name]
Anhydride [(6S,8S,9R,10S,11S,13R,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-triméthyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-17-yl]acétique-pentanoïque (non-p referred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 296.3±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 507.73
ACD/KOC (pH 5.5): 3008.10
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 507.73
ACD/KOC (pH 7.4): 3008.10
Polar Surface Area: 81 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

Click to predict properties on the Chemicalize site


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