8-Demethyl-6-methyl-Riboflavin 5'-(dihydrogen phosphate)
[CAS# 28848-42-2]

Identification

• Name: 8-Demethyl-6-methyl-Riboflavin 5'-(dihydrogen phosphate)
• Synonyms: [(2R,3S,4S)-5-(6,7-Dimethyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate; [(2R,3S,4S)-5-(6,7-Dimethyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentyl] Dihydrogen Phosphate; [(2R,3S,4S)-5-(2,4-Diketo-6,7-Dimethyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate
• Molecular Formula: C₁₇H₂₁N₄O₉P
• Molecular Weight: 456.35
• CAS Registry Number: 28848-42-2
• SMILES: [C@H](CN2C1=C(C(=C(C=C1)C)C)N=C3C(NC(=O)N=C23)=O)([C@@H]([C@@H](CO[P](O)(=O)O)O)O)O
• InChI: 1S/C17H21N4O9P/c1-7-3-4-9-12(8(7)2)18-13-15(19-17(26)20-16(13)25)21(9)5-10(22)14(24)11(23)6-30-31(27,28)29/h3-4,10-11,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t10-,11+,14-/m0/s1
• InChIKey: HRBRRLFZEHESIR-WDMOLILDSA-N

Properties

• Density: 1.834g/cm³ (Cal.)