(S-Dinitrophenyl)-6-Mercaptopurine Riboside Triphosphate
[CAS# 51640-19-8]

Identification

• Name: (S-Dinitrophenyl)-6-Mercaptopurine Riboside Triphosphate
• Synonyms: [9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methyl-Tetrahydrofuran-2-Yl]-2-(2,4-Dinitrophenyl)Sulfanyl-Purin-6-Yl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methyl-2-Tetrahydrofuranyl]-2-[(2,4-Dinitrophenyl)Thio]-6-Purinyl] (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methyl-Tetrahydrofuran-2-Yl]-2-[(2,4-Dinitrophenyl)Thio]Purin-6-Yl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₆H₁₇N₆O₁₇P₃S
• Molecular Weight: 690.32
• CAS Registry Number: 51640-19-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)C)[N]2C3=C(N=C2)C(=NC(=N3)SC4=CC=C([N+]([O-])=O)C=C4[N+]([O-])=O)O[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O
• InChI: 1S/C16H17N6O17P3S/c1-6-11(23)12(24)15(36-6)20-5-17-10-13(20)18-16(43-9-3-2-7(21(25)26)4-8(9)22(27)28)19-14(10)37-41(32,33)39-42(34,35)38-40(29,30)31/h2-6,11-12,15,23-24H,1H3,(H,32,33)(H,34,35)(H2,29,30,31)/t6-,11-,12-,15-/m1/s1
• InChIKey: ABUGVBRDFWGJRD-CHOYNLESSA-N

Properties

• Density: 2.403g/cm³ (Cal.)
• Boiling point: 1063.139°C at 760 mmHg (Cal.)
• Flash point: 596.765°C (Cal.)