4-Nitrophenyl 3'-Thymidylate
[CAS# 16562-50-8]

Identification

• Name: 4-Nitrophenyl 3'-Thymidylate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (4-Nitrophenyl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl (4-Nitrophenyl) Hydrogen Phosphate; [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (4-Nitrophenyl) Hydrogen Phosphate
• Molecular Formula: C₁₆H₁₈N₃O₁₀P
• Molecular Weight: 443.31
• CAS Registry Number: 16562-50-8 (2304-08-7)
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](OC2=CC=C([N+]([O-])=O)C=C2)(=O)O)N3C(=O)NC(=O)C(=C3)C
• InChI: 1S/C16H18N3O10P/c1-9-7-18(16(22)17-15(9)21)14-6-12(20)13(28-14)8-27-30(25,26)29-11-4-2-10(3-5-11)19(23)24/h2-5,7,12-14,20H,6,8H2,1H3,(H,25,26)(H,17,21,22)/t12-,13+,14+/m0/s1
• InChIKey: RWOAVOYBVRQNIZ-BFHYXJOUSA-N

Properties

• Density: 1.597g/cm³ (Cal.)