Phenylalanyl-diiodotyrosine

Base Information

• Chemical Name: Phenylalanyl-diiodotyrosine
• CAS No.: 80434-83-9
• Molecular Formula: C18H18I2N2O4
• Molecular Weight: 580.16
• DSSTox Substance ID: DTXSID601001239
• Wikidata: Q82995095
• Mol file: 80434-83-9.mol

Synonyms:Phenylalanyl-diiodotyrosine;l-phenylalanyl-3,5-diiodo-l-tyrosine;80434-83-9;DTXSID601001239;L-Tyrosine, 3,5-diiodo-N-L-phenylalanyl-;N-(2-Amino-1-hydroxy-3-phenylpropylidene)-3,5-diiodotyrosine

Chemical Property of Phenylalanyl-diiodotyrosine

Chemical Property:

• Vapor Pressure: 7.27E-18mmHg at 25°C
• Boiling Point: 651.5°C at 760 mmHg
• PKA: 2.86±0.10(Predicted)
• Flash Point: 347.8°C
• PSA: 108.90000
• Density: 1.956g/cm³
• LogP: 0.55400
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 579.93560
• Heavy Atom Count: 26
• Complexity: 476

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC(=C(C(=C2)I)O)I)C(=O)O)N
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC(=C(C(=C2)I)O)I)C(=O)O)N