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

ChemSpider 2D Image | (9beta,14beta)-17-Oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate | C18H22O5S

(9β,14β)-17-Oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate

  • Molecular FormulaC18H22O5S
  • Average mass350.429 Da
  • Monoisotopic mass350.118805 Da
  • ChemSpider ID58145948
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(9β,14β)-17-Oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(9β,14β)-17-Oxoestra-1,3,5(10)-trien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, (9β,14β)- [ACD/Index Name]
Hydrogénosulfate de (9β,14β)-17-oxoestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
sulfuric acid [(8R,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester

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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