estrone sulfate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 130
Total Number of Articles : 366
PubChem 3001028
Molecular Formula

C18H22O5S

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

InChI

InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1

synonyms
  • Estrone sulfate
  • Estrone sulphate
  • Premarin
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Properties
Property Value
MW 350.4 g/mol
HBD 1
HBA 5
Rotatable Bond Count 2
Exact Mass 350.11879497 g/mol
Monoisotopic Mass 350.11879497 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 624
xlogp 2.5
Topological Polar Surface Area 89