4457-01-6 (2'-Phosphoadenosine 5'-diphosphate,Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate))

CAS号:
4457-01-6
中文名称:
2'-Phosphoadenosine 5'-diphosphate
英文名称:
Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate)
分子式:
C10H16N5O13P3
分子量:
507.181024551392

2'-Phosphoadenosine 5'-diphosphate(4457-01-6)名称与标识符

名称

英文别名:
2'P-ADP;2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE;2-Phospho-adenosine diphosphate;1afl;adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate);phosphoadenosine diphosphate;9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-phosphonopentofuranosyl}-9H-purin-6-amine;5'-Diphosphoadenosine 2'-phosphate;DB02363;Adenosine 2'-phosphoric acid 5'-diphosphoric acid;Adenosine 5'-(trihydrogen diphorphate), 2'-(dihydrogen phosphate); Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate) ; 2'-Phosphoadenosine 5'-diphosphate; 2'- Monophosphoadenosine-5'-Diphosphate; Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate) (8CI);Adenosine 2'-phosphate 5'-pyrophosphate (6CI);Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate);2'-phosphoadenosine diphosphate;DTXSID20963244;SCHEMBL905455;PD060073;4457-01-6;[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate;D0CH7U;Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate) (8CI);2'-Phosphoadenosine 5'-diphosphate;Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate);NS00070885;

标识符

InChIKey:
YPTPYQSAVGGMFN-KQYNXXCUSA-N
Inchi:
1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
SMILES:
P(=O)(O)(O)O[C@H]1[C@H](N2C=NC3C(N)=NC=NC2=3)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O

2'-Phosphoadenosine 5'-diphosphate(4457-01-6)物化性质

计算特性

  • 精确分子量 : 506.99574658g/mol
  • 氢键供体数量 : 7
  • 氢键受体数量 : 17
  • 可旋转化学键数量 : 8
  • 同位素质量 : 506.99574658g/mol
  • 重原子数量 : 31
  • 复杂度 : 794
  • 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) : -5.7
  • 拓扑分子极性表面积 : 279

2'-Phosphoadenosine 5'-diphosphate(4457-01-6)推荐厂家 更多厂家(1)

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

2'-Phosphoadenosine 5'-diphosphate(4457-01-6)合成路线

合成路线:1 步
反应条件:
参考文献:
Factors influencing the operational stability of NADPH-dependent alcohol dehydrogenase and an NADH-dependent variant thereof in gas/solid reactors
By Kulishova, Liliya et al, Journal of Molecular Catalysis B: Enzymatic, 2010, 67(3-4), 271-283
合成路线:1 步
反应条件:
参考文献:
Factors influencing the operational stability of NADPH-dependent alcohol dehydrogenase and an NADH-dependent variant thereof in gas/solid reactors
By Kulishova, Liliya et al, Journal of Molecular Catalysis B: Enzymatic, 2010, 67(3-4), 271-283