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Search term: JKKFKPJIXZFSSB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 17-Oxo(2,4,16,16-~2~H_4_)estra-1,3,5(10)-trien-3-yl hydrogen sulfate | C18H18D4O5S

17-Oxo(2,4,16,16-2H4)estra-1,3,5(10)-trien-3-yl hydrogen sulfate

  • Molecular FormulaC18H18D4O5S
  • Average mass354.454 Da
  • Monoisotopic mass354.143890 Da
  • ChemSpider ID17341504
  • Non-standard isotope - Non-standard isotope


More details:






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

17-Oxo(2,4,16,16-2H4)estra-1,3,5(10)-trien-3-yl hydrogen sulfate [ACD/IUPAC Name]
17-Oxo(2,4,16,16-2H4)estra-1,3,5(10)-trien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one-2,4,16,16-d4, 3-(sulfooxy)- [ACD/Index Name]
Hydrogénosulfate de 17-oxo(2,4,16,16-2H4)estra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 259.8±3.0 cm3

Click to predict properties on the Chemicalize site






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