Riboflavin 5'-Butanoate
[CAS# 20704-80-7]

Identification

• Name: Riboflavin 5'-Butanoate
• Synonyms: [(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Butanoate; Butanoic Acid [(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentyl] Ester; Butyric Acid [(2S,3R,4R)-5-(2,4-Diketo-7,8-Dimethyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Ester
• Molecular Formula: C₂₁H₂₆N₄O₇
• Molecular Weight: 446.46
• CAS Registry Number: 20704-80-7
• 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)COC(CCC)=O
• InChI: 1S/C21H26N4O7/c1-4-5-16(28)32-9-15(27)18(29)14(26)8-25-13-7-11(3)10(2)6-12(13)22-17-19(25)23-21(31)24-20(17)30/h6-7,14-15,18,26-27,29H,4-5,8-9H2,1-3H3,(H,24,30,31)/t14-,15+,18-/m1/s1
• InChIKey: DNNYFPLSGADQHQ-RVKKMQEKSA-N

Properties

• Density: 1.502g/cm³ (Cal.)