14535-90-1 (Adenosine-5'-pentaphosphate,Adenosine 5'-(hexahydrogen pentaphosphate))

CAS号:
14535-90-1
中文名称:
Adenosine-5'-pentaphosphate
英文名称:
Adenosine 5'-(hexahydrogen pentaphosphate)
分子式:
C10H18N5O19P5
分子量:
667.140826702118

Adenosine-5'-pentaphosphate(14535-90-1)名称与标识符

名称

英文别名:
Adenosine5'-(hexahydrogen pentaphosphate);adenosine 5'-pentaphosphate;5'-O-[hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]adenosine;Pppppa;adenosine 5'-(hexahydrogen pentaphosphate);ADENOSINE-5'-PENTAPHOSPHATE;5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine;5FA;DB02738;C20198;Q27093688;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetr; Adenosine, 5'-(hexahydrogen pentaphosphate) (8CI);Adenosine 5'-pentaphosphate (7CI);DTXSID40932578;14535-90-1;CHEBI:40096;9-{5-O-[Hydroxy({hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl] hydrogen phosphate;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] hydrogen phosphate;Adenosine-5/'-pentaphosphate;SCHEMBL4997435;Adenosine, 5'-(hexahydrogen pentaphosphate) (8CI);NS00072797;

标识符

InChIKey:
WYJWVZZCMBUPSP-KQYNXXCUSA-N
Inchi:
1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES:
P(=O)(O)(OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Adenosine-5'-pentaphosphate(14535-90-1)物化性质

实验特性

  • PSA : 372.19

计算特性

  • 精确分子量 : 666.92854
  • 氢键供体数量 : 9
  • 氢键受体数量 : 23
  • 可旋转化学键数量 : 12
  • 同位素质量 : 666.928408g/mol
  • 重原子数量 : 39
  • 复杂度 : 1140
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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) : -7.9
  • 拓扑分子极性表面积 : 372
  • 分子量 : 667.14g/mol

Adenosine-5'-pentaphosphate(14535-90-1)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
询单
杭州六可生物科技有限公司 15658003402
0086-571-86912261
Susan 3671025517
询单

Adenosine-5'-pentaphosphate(14535-90-1)合成路线

合成路线:1 步
反应条件:
参考文献:
Magnesium(II) ion-mediated conversion of mono- and oligonucleotides to 5'-polyphosphates in aqueous solution
By Sawai, Hiroaki et al, Tetrahedron Letters, 1993, 34(30), 4801-4
合成路线:2 步
反应条件:
参考文献:
Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A
By Shepard, Scott M. et al, Journal of the American Chemical Society, 2019, 141(46), 18400-18404
合成路线:1 步
反应条件:
参考文献:
Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures
By Parnell, Alice E. et al, Proceedings of the National Academy of Sciences of the United States of America, 2018, 115(13), 3350-3355

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