Hawkinsin

Base Information

• Chemical Name: Hawkinsin
• CAS No.: 63224-90-8
• Molecular Formula: C11H17NO6S
• Molecular Weight: 291.32
• DSSTox Substance ID: DTXSID10866992
• Nikkaji Number: J2.866.059F
• Wikipedia: Hawkinsin
• Wikidata: Q5685191
• Metabolomics Workbench ID: 38136

Synonyms:(2-L-cystein-S-yl-1,4-dihydroxycyclohex-5-en-1- yl)acetic acid;hawkinsin

Chemical Property of Hawkinsin

Chemical Property:

• Vapor Pressure: 6.36E-18mmHg at 25°C
• Boiling Point: 619.2°C at 760 mmHg
• Flash Point: 328.3°C
• PSA: 166.38000
• Density: 1.54g/cm³
• LogP: -0.27300
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 291.07765844
• Heavy Atom Count: 19
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C=CC(C1SCC(C(=O)O)N)(CC(=O)O)O)O
• Uses: Hawkinsin is a urinary metabolite from the rare disorder of tyrosine metabolism, known as Hawkinsinuria; Also, it is derived from 4-Hydroxyphenylacetic Acid (H949060), which is a compound present in olive oil. An important fine chemical intermediate with broad prospects for application development.

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