5'-O-Thymidyl 3'-O-(2'-Deoxyadenosyl) Phosphorothioate
[CAS# 92127-73-6]

Identification

• Name: 5'-O-Thymidyl 3'-O-(2'-Deoxyadenosyl) Phosphorothioate
• Synonyms: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphinothioyl]Oxymethyl]-4-Hydroxy-Tetrahydrofuran-2-Yl]-5-Methyl-Pyrimidine-2,4-Dione; 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(6-Amino-9-Purinyl)-2-(Hydroxyme
• Molecular Formula: C₂₀H₂₆N₇O₉PS
• Molecular Weight: 571.50
• CAS Registry Number: 92127-73-6
• SMILES: [C@H]3(O[P](=S)(OC[C@H]2O[C@@H](N1C=C(C(=O)NC1=O)C)C[C@@H]2O)O)C[C@@H](O[C@@H]3CO)[N]5C4=NC=NC(=C4N=C5)N
• InChI: 1S/C20H26N7O9PS/c1-9-4-26(20(31)25-19(9)30)14-2-10(29)13(35-14)6-33-37(32,38)36-11-3-15(34-12(11)5-28)27-8-24-16-17(21)22-7-23-18(16)27/h4,7-8,10-15,28-29H,2-3,5-6H2,1H3,(H,32,38)(H2,21,22,23)(H,25,30,31)/t10-,11-,12+,13+,14+,15+,37?/m0/s1
• InChIKey: XNGOOGOMEACAQT-DDLFOQJUSA-N

Properties

• Density: 1.976g/cm³ (Cal.)