ChemSpider 2D Image | 2-hydroxy-17beta-estradiol 3-sulfate | C18H24O6S

2-hydroxy-17β-estradiol 3-sulfate

  • Molecular FormulaC18H24O6S
  • Average mass368.445 Da
  • Monoisotopic mass368.129364 Da
  • ChemSpider ID58827614

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-2,17-Dihydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(17β)-2,17-Dihydroxyestra-1,3,5(10)-trien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
2-hydroxy-17β-estradiol 3-sulfate
Estra-1,3,5(10)-triene-2,3,17-triol, 3-(hydrogen sulfate), (17β)- [ACD/Index Name]
Hydrogénosulfate de (17β)-2,17-dihydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
(17β)-estra-1,3,5(10)-triene-2,3,17-triol 3-sulfate
2,17β-dihydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
estra-1,3,5(10)-triene-2,3,17β-triol 3-sulfate

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: 1.623
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.43
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: 64.2±3.0 dyne/cm
Molar Volume: 258.7±3.0 cm3

Click to predict properties on the Chemicalize site


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