TESTOSTERONE SULFATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KYZ4XM82XB

Structure

InChI Key WAQBISPOEAOCOG-DYKIIFRCSA-N
Smiles C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=CC(=O)CC[C@]34C
InChI
InChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28O5S
Molecular Weight 368.17
AlogP 3.71
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 67543-14-0
NORMAN SUSDAT
FDA SRS KYZ4XM82XB
CONTENTS