(17β)-17-Hydroxyestra-1,3,5(10)-Trien-3-Yl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C18H24O5S
IUPAC Name [(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular Mass 352.445 g·mol−1
Heat of Formation -913.1 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 399.24 Å 3
Surface Area 338.16 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5[10]-estratriene-3, 17.beta.-diol 3-sulfate-
  • 17.beta.-estradiol 3-sulfate-
  • 17beta-estradiol 3-sulfate
  • 17beta-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
  • 4999-79-5 (sodium salt)
  • [(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(hydrogen sulfate)
  • estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate
  • estradiol 3-sulphate
  • estradiol-17beta 3-sulfate
  • estradiol-3-sulfate
  • lmst05020005
  • {1,3,5[10]-estratriene-3,} 17.beta.-diol 3-sulfate sodium salt
CAS Number(s)
  • 481-96-9
InChIKey QZIGLSSUDXBTLJ-ZBRFXRBCSA-N
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