Riboflavin 5'-Sulfate
[CAS# 1107-62-6]

Identification

• Name: Riboflavin 5'-Sulfate
• Synonyms: [(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Hydrogen Sulfate; [(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentyl] Hydrogen Sulfate; [(2S,3R,4R)-5-(2,4-Diketo-7,8-Dimethyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Hydrogen Sulfate
• Molecular Formula: C₁₇H₂₀N₄O₉S
• Molecular Weight: 456.43
• CAS Registry Number: 1107-62-6
• SMILES: [C@H](CN1C3=C(N=C2C(NC(N=C12)=O)=O)C=C(C(=C3)C)C)(O)[C@@H](O)[C@@H](O)CO[S](=O)(=O)O
• InChI: 1S/C17H20N4O9S/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H,27,28,29)/t11-,12+,14-/m1/s1
• InChIKey: RUUGCTAFWMEMDH-MBNYWOFBSA-N

Properties

• Density: 1.796g/cm³ (Cal.)