ChemSpider 2D Image | (9beta,13alpha,14beta)-17-Oxo(2,4,16,16-~2~H_4_)estra-1,3,5(10),7-tetraen-3-yl hydrogen sulfate | C18H16D4O5S

(9β,13α,14β)-17-Oxo(2,4,16,16-2H4)estra-1,3,5(10),7-tetraen-3-yl hydrogen sulfate

  • Molecular FormulaC18H16D4O5S
  • Average mass352.438 Da
  • Monoisotopic mass352.128265 Da
  • ChemSpider ID114553579

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9β,13α,14β)-17-Oxo(2,4,16,16-2H4)estra-1,3,5(10),7-tetraen-3-yl hydrogen sulfate [ACD/IUPAC Name]
(9β,13α,14β)-17-Oxo(2,4,16,16-2H4)estra-1,3,5(10),7-tetraen-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Estra-1,3,5(10),7-tetraen-17-one-2,4,16,16-d4, 3-(sulfooxy)-, (9β,13α,14β)- [ACD/Index Name]
Hydrogénosulfate de (9β,13α,14β)-17-oxo(2,4,16,16-2H4)estra-1,3,5(10),7-tétraén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 244.1±5.0 cm3

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