Triiodothyronine glucuronide

Base Information

• Chemical Name: Triiodothyronine glucuronide
• CAS No.: 29919-72-0
• Molecular Formula: C21H20I3NO10
• Molecular Weight: 0
• UNII: C476A7CU7N
• DSSTox Substance ID: DTXSID40184035
• Wikidata: Q76279762
• Metabolomics Workbench ID: 40901
• Mol file: 29919-72-0.mol

Synonyms:T3G;triiodothyronine glucuronide

Chemical Property of Triiodothyronine glucuronide

Chemical Property:

• Vapor Pressure: 4.78E-30mmHg at 25°C
• Boiling Point: 841.2°C at 760 mmHg
• Flash Point: 462.5°C
• PSA: 189.00000
• Density: 2.329g/cm³
• LogP: 2.21840
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 826.8221
• Heavy Atom Count: 35
• Complexity: 738

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)OC3C(C(C(C(O3)C(=O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

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