ChemSpider 2D Image | (17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol | C32H47F5O3S

(17β)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC32H47F5O3S
  • Average mass606.771 Da
  • Monoisotopic mass606.316589 Da
  • ChemSpider ID4447684

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(17β)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(17β)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
(17β)-7-{9-[(4,4,5,5,5-Pentafluorpentyl)sulfinyl]nonyl}estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
129453-61-8 [RN]
Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (17β)- [ACD/Index Name]
Fulvestrant [INN] [JAN] [USAN] [Wiki]

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

ICI 182780 [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: 674.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 361.9±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 7.56
ACD/BCF (pH 5.5): 325422.34
ACD/KOC (pH 5.5): 307171.88
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 325000.28
ACD/KOC (pH 7.4): 306773.50
Polar Surface Area: 77 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 505.1±3.0 cm3

Click to predict properties on the Chemicalize site


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