(17β)-Estra-1,3,5(10)-Triene-3,17-Diyl Bis(Hydrogen Sulfate)

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Properties Simple | Detailed

Formula C18H24O8S2
IUPAC Name [(8r,9s,13s,14s,17s)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
Molecular Mass 432.508 g·mol−1
Heat of Formation -1422.8 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 460.97 Å 3
Surface Area 385.29 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 17beta-estradiol-3,17-disulfate
  • [(8r,9s,13s,14s,17s)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
  • [(8r,9s,13s,14s,17s)-13-methyl-3-sulfoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
  • estra-1,3,5(10)-triene-3,17-diol (17beta)-, bis(hydrogen sulfate)
  • estradiol 3,17-disulfate
  • estradiol-3,17-disulfate
CAS Number(s)
  • 3233-70-3
InChIKey VPLAJGAMHNQZIY-ZBRFXRBCSA-N
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