thyroxine

(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid

CAS: 51-48-9

Molecular Formula	`C15H11I4NO4`
Molecular Weight	776.87 g/mol
LogP	2.4
Topological Polar Surface Area	92.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	776.6867
Heavy Atoms	24
Complexity	420.0

Chemical Identifiers

CAS Number	51-48-9
SMILES	`C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N`
InChIKey	`XUIIKFGFIJCVMT-LBPRGKRZSA-N`

📖 Product Overview

thyroxine (CAS: 51-48-9) is a chemical compound with molecular formula C15H11I4NO4 and molecular weight 776.87 g/mol. Its IUPAC systematic name is (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid. LogP 2.4 Topological Polar Surface Area 92.8 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 776.6867 Heavy Atoms 24 Complexity 420.0 InChI Key: XUIIKFGFIJCVMT-LBPRGKRZSA-N. SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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