[125I]thyroxine

HCID 644282

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Basic information

CAS: 80945-46-6
Standard SMILES: N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c([125I])c2)c(I)c1)C(=O)O
InChIKey: XUIIKFGFIJCVMT-SUXPHOQTSA-N
Molecular formula: C15H11I4NO4
Average molar mass: 774.87 g/mol
Monoisotopic mass: 774.6869

Names & identifiers

Preferred name: [125I]thyroxine
IUPAC: (2S)-2-amino-3-[4-(4-hydroxy-5-iodo-3-(125I)iodophenoxy)-3,5-diiodophenyl]propanoic acid

Names & synonyms

[125I]-Thyroxine[125I]thyroxine[125I]-T4DTXSID30349358(125I)thyroxine80945-46-6(125I)-Thyroxine(2S)-2-amino-3-{4-[4-hydroxy-3-(125I)iodo-5-iodophenoxy]-3,5-diiodophenyl}propanoic acid(125I)-T4(2S)-2-amino-3-(4-(4-hydroxy-3-(125I)iodo-5-iodophenoxy)-3,5-diiodophenyl)propanoic acidRefChem:204729DTXCID30300429

Show more names

[125I]-Thyroxin[125I]-Synthroid[125I]-Thyratabs[125I]-Thyroxinal[125I]-Thyreoideum[125I]-Thyrax[125I]-Levothyroxine[125I]-L-Thyroxin

Database identifiers

CAS: 80945-46-6
PubChem CID: 644282
DTXSID: DTXSID30349358

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 92.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 420

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