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1-​(5-​O-​膦酰基-​β-​D)-​呋喃核糖基)​-5'-​腺苷酸 | 1109-75-7

1-​(5-​O-​膦酰基-​β-​D)-​呋喃核糖基)​-5'-​腺苷酸结构式图片|1109-75-7结构式图片
1-​(5-​O-​膦酰基-​β-​D)-​呋喃核糖基)​-5'-​腺苷酸
5'-​Adenylic acid, 1-​(5-​O-​phosphono-​β-​D-​ribofuranosyl)​-
1109-75-7
C15H23N5O14P2
559.32
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-​(5-​O-​膦酰基-​β-​D)-​呋喃核糖基)​-5'-​腺苷酸结构式
11988267
名称和标识符
InChIKey RTQMRTSPTLIIHM-KEOHHSTQSA-N
Inchi 1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
SMILES [C@H]1([C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2C(=N)N([C@@H]3O[C@H](COP(O)(=O)O)[C@H]([C@H]3O)O)C=NC=21)O
别名信息
- 中文别名 -
- 英文别名 -
  • 5'-Adenylic acid, 1-(5-O-phosphono-β-D-ribofuranosyl)-
  • 1-(5-phospho-beta-D-ribofuranosyl)-5'-adenylic acid
  • 1-(5-phospho-beta-D-ribofuranosyl)-5'-adenylic acid
  • 1-(5-phospho-beta-D-ribofuranosyl)-5'-adenylic acid
  • 1-(5-O-phosphono-beta-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)
  • 1-(5-O-phosphono-beta-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)
  • 1-(5-O-phosphono-beta-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)
  • CHEBI:18374
  • CHEBI:18374
  • CHEBI:18374
  • [(2R,3S,4R,5R)-5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • [(2R,3S,4R,5R)-5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • [(2R,3S,4R,5R)-5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • phosphoribosyl-AMP
  • phosphoribosyl-AMP
  • phosphoribosyl-AMP
  • N1-(5-phospho-D-ribosyl)-AMP
  • N1-(5-phospho-D-ribosyl)-AMP
  • N1-(5-phospho-D-ribosyl)-AMP
  • 1-(5-Phosphoribosyl)-AMP
  • 1-(5-Phosphoribosyl)-AMP
  • 1-(5-Phosphoribosyl)-AMP
  • 1-(5-phospho-beta-D-ribosyl)-5'-AMP
  • 1-(5-phospho-beta-D-ribosyl)-5'-AMP
  • 1-(5-phospho-beta-D-ribosyl)-5'-AMP
  • SCHEMBL939116
  • SCHEMBL939116
  • SCHEMBL939116
  • N-(5-phospho-D-ribosyl)-AMP
  • N-(5-phospho-D-ribosyl)-AMP
  • N-(5-phospho-D-ribosyl)-AMP
  • N-(5'-phospho-D-ribosyl)-AMP
  • N-(5'-phospho-D-ribosyl)-AMP
  • N-(5'-phospho-D-ribosyl)-AMP
  • C02741
  • C02741
  • C02741
  • Q27103039
  • Q27103039
  • Q27103039
  • 5-phosphoribosyl-AMP
  • 5-phosphoribosyl-AMP
  • 5-phosphoribosyl-AMP
  • 1-(5-Phospho-beta-D-ribosyl)-AMP
  • 1-(5-Phospho-beta-D-ribosyl)-AMP
  • 1-(5-Phospho-beta-D-ribosyl)-AMP
  • Phosphoribosyl-AMP
  • N1-(5-Phospho-D-ribosyl)-AMP
  • 1-(5-phosphoribosyl)-AMP
  • 1-(5-phosphonato-beta-D-ribosyl)-5'-AMP tetraanion
物化性质
计算特性
精确分子量 559.07167442g/mol
氢键供体数量 9
氢键受体数量 17
可旋转化学键数量 8
同位素质量 559.07167442g/mol
重原子数量 36
复杂度 963
同位素原子数量 0
确定原子立构中心数量 8
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -6.7
拓扑分子极性表面积 290Ų
专业数据库参考
PubChemId 11988267
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