Monoiodothyronine

Base Information

• Chemical Name: Monoiodothyronine
• CAS No.: 29354-16-3
• Molecular Formula: C15H14 I N O4
• Molecular Weight: 0
• Metabolomics Workbench ID: 37429
• Mol file: 29354-16-3.mol

Synonyms:3-iodothyronine;3-monoiodothyronine;3-monoiodothyronine, (DL-Tyr)-isomer;3-monoiodothyronine, (L-Tyr)-isomer;3-monoiodothyronine, 125I-labeled, (L-Tyr)-isomer;3-T1

Chemical Property of Monoiodothyronine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 536.908°C at 760 mmHg
• Flash Point: 278.512°C
• Density: 1.747g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 398.99676
• Heavy Atom Count: 21
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2)CC(C(=O)O)N)I
• Isomeric SMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2)C[C@H](C(=O)O)N)I

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