8-Fluoro-8-demethylriboflavin

Base Information

• Chemical Name: 8-Fluoro-8-demethylriboflavin
• CAS No.: 1691-79-8
• Molecular Formula: C16H17 F N4 O6
• Molecular Weight: 380.33
• DSSTox Substance ID: DTXSID30168647
• Wikidata: Q83038269
• Mol file: 1691-79-8.mol

Synonyms:8-fluoro-8-demethyl FMN;8-fluoro-8-demethylriboflavin;8-fluororiboflavin

Chemical Property of 8-Fluoro-8-demethylriboflavin

Chemical Property:

• PKA: 9.29±0.70(Predicted)
• PSA: 161.82000
• Density: 1.76g/cm³
• LogP: -1.43220
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 380.11321244
• Heavy Atom Count: 27
• Complexity: 686

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1F)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
• Isomeric SMILES: CC1=CC2=C(C=C1F)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O

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