5'-Deoxy-5'-Chlorothymidine-3'-(4-Nitrophenyl)Phosphorothioate
[CAS# 80214-54-6]

Identification

• Name: 5'-Deoxy-5'-Chlorothymidine-3'-(4-Nitrophenyl)Phosphorothioate
• Synonyms: 1-[(2R,4S,5S)-5-(Chloromethyl)-4-[Hydroxy-(4-Nitrophenoxy)Phosphinothioyl]Oxy-Tetrahydrofuran-2-Yl]-5-Methyl-Pyrimidine-2,4-Dione; 1-[(2R,4S,5S)-5-(Chloromethyl)-4-[Hydroxy-(4-Nitrophenoxy)Phosphinothioyl]Oxy-2-Tetrahydrofuranyl]-5-Methylpyrimidine-2,4-Dione; 1-[(2R,4S,5S)-5-(Chloromethyl)-4-[Hydroxy-(4-Nitrophenoxy)Thiophosphoryl]Oxy-Tetrahydrofuran-2-Yl]-5-Methyl-Pyrimidine-2,4-Quinone
• Molecular Formula: C₁₆H₁₇ClN₃O₈PS
• Molecular Weight: 477.81
• CAS Registry Number: 80214-54-6
• SMILES: [C@H]2(O[P](=S)(OC1=CC=C([N+]([O-])=O)C=C1)O)C[C@@H](O[C@@H]2CCl)N3C=C(C(=O)NC3=O)C
• InChI: 1S/C16H17ClN3O8PS/c1-9-8-19(16(22)18-15(9)21)14-6-12(13(7-17)26-14)28-29(25,30)27-11-4-2-10(3-5-11)20(23)24/h2-5,8,12-14H,6-7H2,1H3,(H,25,30)(H,18,21,22)/t12-,13+,14+,29?/m0/s1
• InChIKey: VTOGRWKDDLCLJO-XDBDKROASA-N

Properties

• Density: 1.64g/cm³ (Cal.)