Basic information
- CAS
3130-96-9- Standard SMILES
NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O- InChIKey
AUYYCJSJGJYCDS-UHFFFAOYSA-N- Molecular formula
- C15H12I3NO4
- Average molar mass
- 650.97 g/mol
- Monoisotopic mass
- 650.7901
Overview
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid is a phenylalanine derivative.
Names & identifiers
- Preferred name
- DL-Triiodothyronine
- IUPAC
- 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
- English name
- rathyronine
- Molecular formula
- C15H12I3NO4
- Molecular weight
- 650.97
Names & synonyms
Rathyronine3130-96-9Ratironinadl-triiodothyronineLiothyronine, dl-RathyroninumO48UO55HR0327-86-6DL-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanineDL-LiothyronineRefChem:1083921221-522-7
Show more names
rac-Liothyronine-15N-13C9Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-DL-tyrosine(±)-O-(4-Hydroxy-3-iodophenyl)-3,5-diiodotyrosineDL-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo- (9CI)Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, DL- (8CI)2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propionic acid
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acidDetrothyronino-(4-hydroxy-3-iodophenyl)-3,5-diiodophenyl alanineC15H12I3NO4ThrithyroneRathyronine [INN:DCF]Rathyroninum [INN-Latin]Ratironina [INN-Spanish]
Database identifiers
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
Physicochemical properties
- Boiling point
- 563.5 · 563.5±50.0 °C(Predicted)
- Density
- 2.387 · 2.387±0.06 g/cm3(Predicted)
- Melting point
- 234 °C · 234 °C
- pka
- 2.13 · 2.13±0.30(Predicted)
- FDA UNII
- 48 UO55HR0 · O48UO55HR0
Chemistry & industry
Suppliers3 total
江苏洪珉药业有限公司18221292452 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid is a phenylalanine derivative.
Related reactions
1 records
Compound notes
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