N-(ethyl-2-diazomalonyl)thyroxine
(2S)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Also Known As: Edm-T4|N-(Ethyl-2-diazomalonyl)thyroxine|(2S)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid|L-Tyrosine, N-(2-diazo-3-ethoxy-1,3-dioxopropyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-|(E)-2-diazonio-1-ethoxy-3-[[(2S)-1-hydroxy-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-1-olate|(E)-3-[[(1S)-1-carboxy-2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]ethyl]amino]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate
| Molecular Formula | C20H15I4N3O7 |
|---|---|
| Molecular Weight | 916.7089 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 916.7089 |
| Monoisotopic Mass | 916.7089 |
| Heavy Atoms | 34 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 83181-47-9 |
|---|---|
| SMILES | CCOC(=O)C(=[N+]=[N-])C(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O |
| InChIKey | XQCBTROWXKXLSP-AWEZNQCLSA-N |
Product Overview
N-(ethyl-2-diazomalonyl)thyroxine (CAS 83181-47-9), with molecular formula C20H15I4N3O7 and molecular weight 916.7089 g/mol. IUPAC: (2S)-2-[(2-diazo-3-ethoxy-3-oxopropanoyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid.
N-(ethyl-2-diazomalonyl)thyroxine is a custom synthesis product. We offer services from milligram to kilogram scale.
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