86-04-4 (肌苷-5-二磷酸二钠盐,(IDP) Inosine 5'-diphosphate disodium salt)

CAS号:
86-04-4
中文名称:
肌苷-5-二磷酸二钠盐
英文名称:
(IDP) Inosine 5'-diphosphate disodium salt
分子式:
C10H14N4O11P2
分子量:
428.185883998871

肌苷-5-二磷酸二钠盐(86-04-4)名称与标识符

名称

中文别名:
肌苷-5-二磷酸二钠盐;
英文别名:
(IDP) Inosine 5'-diphosphate disodium salt;INOSINATE 5'-DIPHOSPHATE;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate;5'-inosine diphosphate;Inosin-5'-diphosphat;Inosindiphosphat;Inosine 5'-diphosphate;Inosine 5'-pyrophosphate;Inosine diphosphate;O5'-trihydroxydiphosphoryl-inosine;Riboxin;riboxine;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate;IDP;Inosine 5'-(trihydrogen diphosphate);SCHEMBL162914;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate;Q3151472;EINECS 201-648-9;((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-2-yl)methyl trihydrogen diphosphate;SCHEMBL24059885;Inosine-5'-Diphosphate;F15JU6D39T;INOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE);CHEBI:17808;Epitope ID:158625;Diphosphate, Inosine;C00104;CHEMBL1233551;UNII-F15JU6D39T;Inosine pyrophosphate;DTXSID90235329;2'-inosine-5'-diphosphate;86-04-4;5'-IDP;[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate;INOSINE DIPHOSPHATE [WHO-DD];((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl)methyl phosphono hydrogen phosphate;Inosine 5'-pyrophosphoric acid;Inosine diphosphoric acid;Inosine diphosphate (7CI);((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl)methyl phosphono hydrogen phosphate;((2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl)methyl phosphono hydrogen phosphate;DTXCID40157820;Inosine 5'(trihydrogen pyrophosphate);5'IDP;2'-Inosine-5'-diphosphoric acid;INOSINE-5'-diphosphoric acid;Inosine 5'(trihydrogen diphosphate);Inosine-5'-(trihydrogen diphosphate);Inosine 5'-diphosphoric acid;Inosine 5'pyrophosphate;

标识符

InChIKey:
JPXZQMKKFWMMGK-KQYNXXCUSA-N
Inchi:
1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES:
P(=O)(O)(OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC=NC2=3)=O)O1)O)O

肌苷-5-二磷酸二钠盐(86-04-4)物化性质

实验特性

  • LogP : -1.31080
  • PSA : 328.66000

计算特性

  • 精确分子量 : 521.95900
  • 氢键供体数量 : 6
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 6
  • 同位素质量 : 428.01343127g/mol
  • 重原子数量 : 27
  • 复杂度 : 715
  • 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) : -4
  • 拓扑分子极性表面积 : 222Ų

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