O-(4-HYDROXY-3,5-DIIODOPHENYL)-DL-TYROSINE

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

Structure

InChI Key LROTZSUGDZPWDN-UHFFFAOYSA-N
Smiles NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)cc1)C(O)=O
InChI
InChI=1S/C15H13I2NO4/c16-11-6-10(7-12(17)14(11)19)22-9-3-1-8(2-4-9)5-13(18)15(20)21/h1-4,6-7,13,19H,5,18H2,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13I2N1O4
Molecular Weight 524.89
AlogP 3.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 92.78
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 60363-25-9
NORMAN SUSDAT
CONTENTS