[[2-[3-[(4-氨基-2-甲基嘧啶-5-基)甲基]-4-甲基-1,3-噻唑-3-鎓-5-基]乙氧基-羟基磷酰]氧基-羟基磷酰]磷酸氢酯
[CAS# 3475-65-8]

基本信息

• 产品名称: [[2-[3-[(4-氨基-2-甲基嘧啶-5-基)甲基]-4-甲基-1,3-噻唑-3-鎓-5-基]乙氧基-羟基磷酰]氧基-羟基磷酰]磷酸氢酯
• 英文名: [[2-[3-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate
• 别名: [[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
• 分子式: C₁₂H₁₉N₄O₁₀P₃S
• 分子量: 504.28
• CAS 登录号: 3475-65-8
• 分子行输入简码 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
• 国际化学标识码 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)
• 国际化学标识检索码 InChIKey: IWLROWZYZPNOFC-UHFFFAOYSA-N

参考文献

• (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.