2',3',4',5'-Tetrabenzoyl-5-Acetyl-1,5-Dihydroriboflavin
[CAS# 52492-58-7]

Identification

• Name: 2',3',4',5'-Tetrabenzoyl-5-Acetyl-1,5-Dihydroriboflavin
• Synonyms: [1-[(5-Acetyl-7,8-Dimethyl-2,4-Dioxo-1H-Benzo[G]Pteridin-10-Yl)Methyl]-2,3,4-Tris(Benzoyloxy)Butyl] Benzoate; Benzoic Acid [1-[(5-Acetyl-7,8-Dimethyl-2,4-Dioxo-1H-Benzo[G]Pteridin-10-Yl)Methyl]-2,3,4-Tris(Oxo-Phenylmethoxy)Butyl] Ester; Benzoic Acid [1-[(5-Acetyl-2,4-Diketo-7,8-Dimethyl-1H-Benzo[G]Pteridin-10-Yl)Methyl]-2,3,4-Tris(Benzoyloxy)Butyl] Ester
• Molecular Formula: C₄₇H₄₀N₄O₁₁
• Molecular Weight: 836.85
• CAS Registry Number: 52492-58-7
• SMILES: C1=C(C)C(=CC2=C1N(C(C)=O)C7=C(N2CC(OC(=O)C3=CC=CC=C3)C(OC(=O)C4=CC=CC=C4)C(COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)NC(=O)NC7=O)C
• InChI: 1S/C47H40N4O11/c1-28-24-35-36(25-29(28)2)51(30(3)52)39-41(48-47(58)49-42(39)53)50(35)26-37(60-44(55)32-18-10-5-11-19-32)40(62-46(57)34-22-14-7-15-23-34)38(61-45(56)33-20-12-6-13-21-33)27-59-43(54)31-16-8-4-9-17-31/h4-25,37-38,40H,26-27H2,1-3H3,(H2,48,49,53,58)
• InChIKey: MUFDJMHUOOVDET-UHFFFAOYSA-N

Properties

• Density: 1.431g/cm³ (Cal.)