Basic information
- CAS
2820-50-0- Standard SMILES
NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O- InChIKey
HZCBWYNLGPIQRK-UHFFFAOYSA-N- Molecular formula
- C15H12I3NO4
- Average molar mass
- 650.97 g/mol
- Monoisotopic mass
- 650.7901
Overview
3,3',5'-triiodothyronine is an iodothyronine. It has a role as a human metabolite.
Names & identifiers
- Preferred name
- DL-3,3',5'-Triiodothyronine
- IUPAC
- 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid
Names & synonyms
DL-3,3',5'-Triiodothyronine70-39-38IGM4I6Q6G3,3',5'-Triiodothyronine, DL-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-Alanine, 3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)-RefChem:10838832-azaniumyl-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoate2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acidCHEBI:28774O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine3,3',5'-Triiodo-DL-thyronine
Show more names
REVERSETRIIODOTHYRONINE2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoic acidNCGC00181338-01Reverse-triiodthyronineUNII-8IGM4I6Q6GCHEMBL1312SCHEMBL4294333,3\',5\'-triiodothyronine
Database identifiers
- CAS
2820-50-0、70-39-3- PubChem CID
- 22069
- DTXSID
DTXSID00274724- ChEMBL
CHEMBL1312- ChEBI
CHEBI:28774- UNII
- 8IGM4I6Q6G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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