ANDROSTERONE SULFATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UK5M12Z93J
EPA CompTox DTXSID401315288

Structure

InChI Key ZMITXKRGXGRMKS-HLUDHZFRSA-N
Smiles C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)O[S](O)(=O)=O
InChI
InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H30O5S1
Molecular Weight 370.18
AlogP 3.79
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 80.67
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 2479-86-9
NORMAN SUSDAT
FDA SRS UK5M12Z93J
CONTENTS