[(2R,3S,4R,5R)-5-(2-氨基-6-氧代-3H-嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基(4-羟基-2,4-二氧代-1,3,5-三氧杂-2,4-二磷杂环己-2-基)磷酸氢酯
[CAS# 30100-88-0]

基本信息

• 产品名称: [(2R,3S,4R,5R)-5-(2-氨基-6-氧代-3H-嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基(4-羟基-2,4-二氧代-1,3,5-三氧杂-2,4-二磷杂环己-2-基)磷酸氢酯
• 英文名: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (4-Hydroxy-2,4-Dioxo-1,3,5-Trioxa-2,4-Diphosphacyclohex-2-Yl) Hydrogen Phosphate
• 别名: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (4-Hydroxy-2,4-Dioxo-1,3,5-Trioxa-2$L^{5},4$L^{5}-Diphosphacyclohex-2-Yl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (4-Hydroxy-2,4-Dioxo-1,3,5-Trioxa-2$L^{5},4$L^{5}-Diphosphacyclohex-2-Yl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (4-Hydroxy-2,4-Diketo-1,3,5-Trioxa-2$L^{5},4$L^{5}-Diphosphacyclohex-2-Yl) Hydrogen Phosphate
• 分子式: C₁₁H₁₆N₅O₁₄P₃
• 分子量: 535.19
• CAS 登录号: 30100-88-0
• 分子行输入简码 SMILES: [C@@H]1(O)[C@@H]([C@H](O[C@H]1[N]3C2=C(C(N=C(N2)N)=O)N=C3)CO[P](O[P]4(OCO[P](O4)(=O)O)=O)(=O)O)O
• 国际化学标识码 InChI: 1S/C11H16N5O14P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-25-31(20,21)29-33(24)27-3-26-32(22,23)30-33/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H3,12,14,15,19)/t4-,6-,7-,10-,33?/m1/s1
• 国际化学标识检索码 InChIKey: XVJWPFGDFPZUAU-IVYUSGJDSA-N

物理化学性质

• 密度: 2.736g/cm³ （计算值）
• 沸点: 902.837°C at 760 mmHg （计算值）
• 闪点: 499.818°C （计算值）