ChemSpider 2D Image | FULVESTRANT SULFONE | C32H47F5O4S

FULVESTRANT SULFONE

  • Molecular FormulaC32H47F5O4S
  • Average mass622.770 Da
  • Monoisotopic mass622.311523 Da
  • ChemSpider ID8636979

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7α,17β)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl}estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(7α,17β)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl}estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
(7α,17β)-7-{9-[(4,4,5,5,5-Pentafluorpentyl)sulfonyl]nonyl}estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
98008-06-1 [RN]
Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]nonyl]-, (7α,17β)- [ACD/Index Name]
FULVESTRANT SULFONE
(1S,3aS,3bR,4R,9bS,11aS)-11a-methyl-4-[9-(4,4,5,5,5-pentafluoropentanesulfonyl)nonyl]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
7α-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]nonyl]estra-1,3,5(10)-triene-3,17β-diol (Fulvestrant Sulfone)
Fulvestrant 9-Sulfone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

55928538EN [DBID]
UNII:55928538EN [DBID]
UNII-55928538EN [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.506
Molar Refractivity: 153.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.15
ACD/LogD (pH 5.5): 7.67
ACD/BCF (pH 5.5): 397117.84
ACD/KOC (pH 5.5): 354223.06
ACD/LogD (pH 7.4): 7.67
ACD/BCF (pH 7.4): 396602.78
ACD/KOC (pH 7.4): 353763.66
Polar Surface Area: 83 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 516.7±3.0 cm3

Click to predict properties on the Chemicalize site


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