5'-Deoxy-5'-Chlorothymidine 3'-(4-Nitrophenyl)Phosphate
[CAS# 80214-53-5]

Identification

• Name: 5'-Deoxy-5'-Chlorothymidine 3'-(4-Nitrophenyl)Phosphate
• Synonyms: [(2S,3S,5R)-2-(Chloromethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] (4-Nitrophenyl) Hydrogen Phosphate; [(2S,3S,5R)-2-(Chloromethyl)-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl] (4-Nitrophenyl) Hydrogen Phosphate; [(2S,3S,5R)-2-(Chloromethyl)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] (4-Nitrophenyl) Hydrogen Phosphate
• Molecular Formula: C₁₆H₁₇ClN₃O₉P
• Molecular Weight: 461.75
• CAS Registry Number: 80214-53-5
• SMILES: [C@H]2(O[C@@H]([C@@H](O[P](OC1=CC=C([N+]([O-])=O)C=C1)(=O)O)C2)CCl)N3C(=O)NC(=O)C(=C3)C
• InChI: 1S/C16H17ClN3O9P/c1-9-8-19(16(22)18-15(9)21)14-6-12(13(7-17)27-14)29-30(25,26)28-11-4-2-10(3-5-11)20(23)24/h2-5,8,12-14H,6-7H2,1H3,(H,25,26)(H,18,21,22)/t12-,13+,14+/m0/s1
• InChIKey: GALYADCVSKPUMN-BFHYXJOUSA-N

Properties

• Density: 1.63g/cm³ (Cal.)