[2,3,4-Trihydroxy-5-(7-Methyl-2,4,8-Trioxo-1H-Pyrimido[4,5-b]Quinolin-10-Yl)Pentyl] Dihydrogen Phosphate
[CAS# 104324-32-5]

Identification

• Name: [2,3,4-Trihydroxy-5-(7-Methyl-2,4,8-Trioxo-1H-Pyrimido[4,5-b]Quinolin-10-Yl)Pentyl] Dihydrogen Phosphate
• Synonyms: [2,3,4-Trihydroxy-5-(2,4,8-Triketo-7-Methyl-1H-Pyrimido[4,5-B]Quinolin-10-Yl)Pentyl] Dihydrogen Phosphate; 8-Demethyl-8-Hydroxy-5-Deaza-5-Carba-Fmn; 8-Dhdc-Fmn
• Molecular Formula: C₁₇H₂₀N₃O₁₀P
• Molecular Weight: 457.33
• CAS Registry Number: 104324-32-5
• SMILES: C(N2C1=CC(=O)C(=CC1=CC3=C2NC(=O)NC3=O)C)C(O)C(O)C(O)CO[P](O)(O)=O
• InChI: 1S/C17H20N3O10P/c1-7-2-8-3-9-15(18-17(26)19-16(9)25)20(10(8)4-11(7)21)5-12(22)14(24)13(23)6-30-31(27,28)29/h2-4,12-14,22-24H,5-6H2,1H3,(H2,27,28,29)(H2,18,19,25,26)
• InChIKey: OOXOPPIFEYLFPX-UHFFFAOYSA-N

Properties

• Density: 1.778g/cm³ (Cal.)