Thymidylyl-(3'-5')-2'-Deoxy-5-Fluorouridine
[CAS# 13276-67-0]

Identification

• Name: Thymidylyl-(3'-5')-2'-Deoxy-5-Fluorouridine
• Synonyms: [(2R,3S,5R)-5-(5-Fluoro-2,4-Dioxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [(2R,3S,5R)-5-(5-Fluoro-2,4-Dioxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl] Hydrogen Phosphate; [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-2-Methylol-Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(5-Fluoro-2,4-Diketo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₄FN₄O₁₂P
• Molecular Weight: 550.39
• CAS Registry Number: 13276-67-0
• SMILES: [C@H]3(O[C@@H]([C@@H](O[P](OC[C@H]2O[C@@H](N1C(=O)NC(=O)C(=C1)F)C[C@@H]2O)(=O)O)C3)CO)N4C(=O)NC(=O)C(=C4)C
• InChI: 1S/C19H24FN4O12P/c1-8-4-23(18(29)21-16(8)27)15-3-11(12(6-25)34-15)36-37(31,32)33-7-13-10(26)2-14(35-13)24-5-9(20)17(28)22-19(24)30/h4-5,10-15,25-26H,2-3,6-7H2,1H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t10-,11-,12+,13+,14+,15+/m0/s1
• InChIKey: IGJXAMJSWYEODZ-BBZRCZKMSA-N