[[2-[3-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 3475-65-8]

Identification

• Name: [[2-[3-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [[2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [[2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate; [[2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₂H₁₉N₄O₁₀P₃S
• Molecular Weight: 504.28
• CAS Registry Number: 3475-65-8
• SMILES: C1=[N+](C(=C(S1)CCO[P](O[P](O[P]([O-])(=O)O)(=O)O)(=O)O)C)CC2=CN=C(N=C2N)C
• InChI: 1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)
• InChIKey: IWLROWZYZPNOFC-UHFFFAOYSA-N

References

• (1): Mara Florea and Werner M. Nau. Implementation of anion-receptor macrocycles in supramolecular tandem assays for enzymes involving nucleotides as substrates, products, and cofactors, Org. Biomol. Chem., 2010, 8, 1033.