3-iodo-O-(3-iodo-4-(sulfooxy)phenyl)-L-tyrosine

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Basic information

CAS: 64192-57-0
Standard SMILES: N[C@@H](Cc1ccc(Oc2ccc(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O
InChIKey: NBAZIIRGURJZJA-LBPRGKRZSA-N
Molecular formula: C15H13I2NO7S
Average molar mass: 605.1 g/mol
Monoisotopic mass: 604.85022

Overview

3,3'-diiodo-L-thyronine sulfate is an O-sulfoamino acid and an aryl sulfate. It is functionally related to a 3,3'-diiodo-L-thyronine.

Names & identifiers

Preferred name: 3-iodo-O-(3-iodo-4-(sulfooxy)phenyl)-L-tyrosine
IUPAC: (2S)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid
English name: 3,3'-diiodothyronine-4-sulfate
Molecular formula: C15H13I2NO7S
Molecular weight: 605.14

Names & synonyms

3,3'-Diiodothyronine-4-sulfate3,3'-T2 Sulfate3,3'-T2S64192-57-0DTXSID502143973-iodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine3-iodo-O-(3-iodo-4-(sulfooxy)phenyl)-L-tyrosineRefChem:911441DTXCID501368883,3'-diiodo-L-thyronine sulfate(2S)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid3,3'-diiodothyronine sulfate

Show more names

L-Tyrosine, 3-iodo-O-[3-iodo-4-(sulfooxy)phenyl]-

SCHEMBL2513515CHEBI:35431NBAZIIRGURJZJA-LBPRGKRZSA-NL-Tyrosine, 3-iodo-O-(3-iodo-4-(sulfooxy)phenyl)-Q27116475

Database identifiers

CAS: 64192-57-0
PubChem CID: 3036285
DTXSID: DTXSID50214397
ChEBI: CHEBI:35431

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 145 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 585

Chemistry & industry

Additional notes

DefinitionChEBI: 3,3'-diiodo-L-thyronine sulfate is an O-sulfoamino acid and an aryl sulfate. It is functionally related to a 3,3'-diiodo-L-thyronine.

Related reactions

1 records

New reaction record

HRID 1378907As productuspto-grants-1997_09

Compound notes

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