3-Deoxy-Thymidine 5-(Tetrahydrogen Triphosphate)
[CAS# 611-60-9]

Identification

• Name: 3-Deoxy-Thymidine 5-(Tetrahydrogen Triphosphate)
• Synonyms: (Hydroxy-Phosphonooxy-Phosphoryl) [(2S,5R)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; Phosphonoformic Acid; (Hydroxy-Phosphonooxyphosphoryl) [(2S,5R)-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; Phosphonoformic Acid; [(2S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; Phosphonoformic Acid
• Molecular Formula: C₁₁H₂₀N₂O₁₈P₄
• Molecular Weight: 592.18
• CAS Registry Number: 611-60-9
• SMILES: [C@@H]2(N1C=C(C(=O)NC1=O)C)O[C@H](CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)CC2.O=[P](C(=O)O)(O)O
• InChI: 1S/C10H17N2O13P3.CH3O5P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17;2-1(3)7(4,5)6/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17);(H,2,3)(H2,4,5,6)/t7-,8+;/m0./s1
• InChIKey: OKSWXAFSDNRBBU-KZYPOYLOSA-N