Thymidylyl(3'->5')Thymidine Ammonium Salt
[CAS# 1969-54-6]

Identification

• Name: Thymidylyl(3'->5')Thymidine Ammonium Salt
• Synonyms: Bis[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl] Hydrogen Phosphate; Bis[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl] Hydrogen Phosphate; Bis[[(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl] Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₇N₄O₁₂P
• Molecular Weight: 546.43
• CAS Registry Number: 1969-54-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](OC[C@H]3O[C@@H](N2C(=O)NC(=O)C(=C2)C)C[C@@H]3O)(=O)O)N4C(=O)NC(=O)C(=C4)C
• InChI: 1S/C20H27N4O12P/c1-9-5-23(19(29)21-17(9)27)15-3-11(25)13(35-15)7-33-37(31,32)34-8-14-12(26)4-16(36-14)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t11-,12-,13+,14+,15+,16+/m0/s1
• InChIKey: IFAYVBVXOVCLSE-KPRKPIBOSA-N

Properties

• Density: 1.587g/cm³ (Cal.)