8-Mercapto-FMN
[CAS# 71800-98-1]

Identification

• Name: 8-Mercapto-FMN
• Synonyms: [(2R,3S,4S)-2,3,4-Trihydroxy-5-(7-Methyl-2,4-Dioxo-8-Thioxo-1H-Benzo[G]Pteridin-10-Yl)Pentyl] Dihydrogen Phosphate; [(2R,3S,4S)-5-(2,4-Diketo-7-Methyl-8-Thioxo-1H-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate; Riboflavin 5'-(Dihydrogen Phosphate), 8-Demethyl-8-Mercapto-
• Molecular Formula: C₁₆H₁₉N₄O₉PS
• Molecular Weight: 474.38
• CAS Registry Number: 71800-98-1
• SMILES: [C@H](O)(CN2C1=CC(=S)C(=CC1=NC3=C2NC(=O)NC3=O)C)[C@H](O)[C@H](O)CO[P](O)(O)=O
• InChI: 1S/C16H19N4O9PS/c1-6-2-7-8(3-11(6)31)20(14-12(17-7)15(24)19-16(25)18-14)4-9(21)13(23)10(22)5-29-30(26,27)28/h2-3,9-10,13,21-23H,4-5H2,1H3,(H2,26,27,28)(H2,18,19,24,25)/t9-,10+,13-/m0/s1
• InChIKey: FBEPGJXJVDGXDD-CWSCBRNRSA-N

Properties

• Density: 1.958g/cm³ (Cal.)