Thymidylyl-(3'-5')deoxyuridine
[CAS# 10318-59-9]

Identification

• Name: Thymidylyl-(3'-5')deoxyuridine
• Synonyms: [(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3R,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [(2R,3S,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl [(2R,3R,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl] Hydrogen Phosphate; [(2R,3R,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-2-Methylol-Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₅N₄O₁₂P
• Molecular Weight: 532.40
• CAS Registry Number: 10318-59-9
• SMILES: [C@H]3(O[C@@H]([C@H](O[P](OC[C@H]2O[C@@H](N1C(=O)NC(=O)C=C1)C[C@@H]2O)(=O)O)C3)CO)N4C(=O)NC(=O)C(=C4)C
• InChI: 1S/C19H25N4O12P/c1-9-6-23(19(29)21-17(9)27)16-5-11(12(7-24)33-16)35-36(30,31)32-8-13-10(25)4-15(34-13)22-3-2-14(26)20-18(22)28/h2-3,6,10-13,15-16,24-25H,4-5,7-8H2,1H3,(H,30,31)(H,20,26,28)(H,21,27,29)/t10-,11+,12+,13+,15+,16+/m0/s1
• InChIKey: JEFGXHFUMBYQPS-PCKPYIHYSA-N

Properties

• Density: 1.701g/cm³ (Cal.)