8-Fluoro-8-Demethylriboflavin
[CAS# 1691-79-8]

Identification

• Name: 8-Fluoro-8-Demethylriboflavin
• Synonyms: 8-Fluoro-7-Methyl-10-[(2S,3S,4R)-2,3,4,5-Tetrahydroxypentyl]Benzo[G]Pteridine-2,4-Quinone; 8-Fluororiboflavin; Riboflavin, 8-Demethyl-8-Fluoro-
• Molecular Formula: C₁₆H₁₇FN₄O₆
• Molecular Weight: 380.33
• CAS Registry Number: 1691-79-8
• SMILES: [C@H](CN2C1=C(C=C(C(=C1)F)C)N=C3C2=NC(NC3=O)=O)([C@@H]([C@@H](CO)O)O)O
• InChI: 1S/C16H17FN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1
• InChIKey: MTTAVTXUUOPWJL-LOWVWBTDSA-N

Properties

• Density: 1.767g/cm³ (Cal.)