Molecular properties
- Formula
- C15H11I4NO4
- Molar mass
- 776.87 g·mol−1
- Exact mass
- 776.6867 Da
- 9
- PubChem CID
- 5819
Molecule record
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
C15H11I4NO4
776.87 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Carboxylic acid
Ether
Phenol
Primary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (-)-Thyroxine
- 2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid
- 3,3',5,5'-Tetraiodo-L-thyronine
- 51-48-9
- L Thyrox
- L Thyroxin Henning
- L Thyroxin beta
- L Thyroxine Roche
Show all 24 synonyms
- L-3,5,5'-tetraiodothyronine
- L-thyroxine
- Levothyroxin
- Levothyroxin Delalande
- O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
- RefChem:5946
- Tetraiodothyronine
- Thyratabs
- Thyrax
- Thyreoideum
- Thyroxinal
- Thyroxine iodine
- Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
- levothyroxine
- thyroxin
- thyroxine
Structure identifiers
- Canonical SMILES
- N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
- Isomeric SMILES
- C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N
- InChI
- InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
- InChIKey
- XUIIKFGFIJCVMT-LBPRGKRZSA-N
- PubChem CID
- 5819
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.