ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta,16beta,17alpha)-16,17-Dihydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate | C18H24O6S

(8α,9β,13α,14β,16β,17α)-16,17-Dihydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate

  • Molecular FormulaC18H24O6S
  • Average mass368.445 Da
  • Monoisotopic mass368.129364 Da
  • ChemSpider ID78474005

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,9β,13α,14β,16β,17α)-16,17-Dihydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(8α,9β,13α,14β,16β,17α)-16,17-Dihydroxyestra-1(10),2,4-trien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,16,17-triol, 3-(hydrogen sulfate), (8α,9β,13α,14β,16β,17α)- [ACD/Index Name]
Hydrogénosulfate de (8α,9β,13α,14β,16β,17α)-16,17-dihydroxyestra-1(10),2,4-trién-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: 1.628
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 257.2±3.0 cm3

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