L-Tyrosine, N-(bromoacetyl)-O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-

Base Information

• Chemical Name: L-Tyrosine, N-(bromoacetyl)-O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-
• CAS No.: 76970-94-0
• Molecular Formula: C17H13 Br I3 N O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90998245
• Nikkaji Number: J366.111C
• Wikidata: Q82990773
• ChEMBL ID: CHEMBL2074819
• Mol file: 76970-94-0.mol

Synonyms:BrAc(125I)T3;N-bromoacetyl-(125I)T3;N-bromoacetyl-3,3',5-triiodo-L-thyronine;N-bromoacetyl-3,3',5-triiodothyronine;N-bromoacetyl-3,3',5-triiodothyronine, (D)-isomer;N-bromoacetyl-T3

Chemical Property of L-Tyrosine, N-(bromoacetyl)-O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-

Chemical Property:

• Vapor Pressure: 3.44E-20mmHg at 25°C
• Boiling Point: 693.5°C at 760 mmHg
• Flash Point: 373.2°C
• PSA: 0.00000
• Density: 2.403g/cm³
• LogP: 0.00000
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 770.7111
• Heavy Atom Count: 27
• Complexity: 517

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)NC(=O)CBr)I)I)O
• Isomeric SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)NC(=O)CBr)I)I)O