CID 131698504

Base Information

• Chemical Name: CID 131698504
• CAS No.: 28116-26-9
• Molecular Formula: C16H21NO8
• Molecular Weight: 355.34
• Mol file: 28116-26-9.mol

Synonyms:N-Acetyltyramine Glucuronide;28116-26-9;(2S,3S,4S,5R)-6-[4-(2-Acetamidoethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Chemical Property of CID 131698504

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 355.12671663
• Heavy Atom Count: 25
• Complexity: 465

Purity/Quality:

99% ^*data from raw suppliers

N-Acetyltyramine Glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NCCC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O
• Isomeric SMILES: CC(=O)NCCC1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
• Uses: N-Acetyltyramine Glucuronide has been identified as a potential marker for river blindness. This would allow effective treatment of the curable disease.

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