胞苷5'-​(二磷酸三氢)“P”-​[[(5aR,​8R,​9aR)​-​2-​氨基-​1.​5.​5a中,​8.​9a中 10-​六氢的-​6.​7-​二巯基-​4-​氧代-​4小时-​吡喃并[3,​2-​克]​蝶呤-​8-​[基]​甲基]酯(9CI)结构式

胞苷5'-​(二磷酸三氢)“P”-​[[(5aR,​8R,​9aR)​-​2-​氨基-​1.​5.​5a中,​8.​9a中 10-​六氢的-​6.​7-​二巯基-​4-​氧代-​4小时-​吡喃并[3,​2-​克]​蝶呤-​8-​[基]​甲基]酯(9CI)
中文名称:胞苷5'-​(二磷酸三氢)“P”-​[[(5aR,​8R,​9aR)​-​2-​氨基-​1.​5.​5a中,​8.​9a中 10-​六氢的-​6.​7-​二巯基-​4-​氧代-​4小时-​吡喃并[3,​2-​克]​蝶呤-​8-​[基]​甲基]酯(9CI)
英文名称:Cytidine 5'-​(trihydrogen diphosphate)​, P'-​[[(5aR,​8R,​9aR)​-​2-​amino-​1,​5,​5a,​8,​9a,​10-​hexahydro-​6,​7-​dimercapto-​4-​oxo-​4H-​pyrano[3,​2-​g]​pteridin-​8-​yl]​methyl] ester (9CI)
CAS No.:220456-65-5
分子式:C19H26N8O13P2S2 分子量:700.53
胞苷5'-​(二磷酸三氢)“P”-​[[(5aR,​8R,​9aR)​-​2-​氨基-​1.​5.​5a中,​8.​9a中 10-​六氢的-​6.​7-​二巯基-​4-​氧代-​4小时-​吡喃并[3,​2-​克]​蝶呤-​8-​[基]​甲基]酯(9CI) 数据
Mol:
250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -2.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160   -3.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1198   -3.7551    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.2457   -3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2668   -3.6781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5769   -4.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7665   -3.6624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2673   -4.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7474   -4.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4535   -4.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6429   -3.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5248   -3.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213   -3.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6518   -1.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4992   -1.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  1  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  1  0  0  0
 10  8  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  6  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  1  0  0  0
 20 21  1  0  0  0  0
 21  5  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 25 24  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  2  0  0  0  0
 27 16  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 35  2  0  0  0  0
 31 26  1  0  0  0  0
 32 33  2  0  0  0  0
 33  5  1  0  0  0  0
 33  3  1  0  0  0  0
 34 37  2  0  0  0  0
 35 31  1  0  0  0  0
 35 36  1  0  0  0  0
 38 39  2  0  0  0  0
 40 34  1  0  0  0  0
 41 38  1  0  0  0  0
 42 43  1  0  0  0  0
 42 38  1  0  0  0  0
 44 34  1  0  0  0  0
 44 38  1  0  0  0  0
 22 45  1  6     0  0
 23 46  1  6     0  0
M  END                                
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胞苷5'-​(二磷酸三氢)“P”-​[[(5aR,​8R,​9aR)​-​2-​氨基-​1.​5.​5a中,​8.​9a中 10-​六氢的-​6.​7-​二巯基-​4-​氧代-​4小时-​吡喃并[3,​2-​克]​蝶呤-​8-​[基]​甲基]酯(9CI) Smile 编码:
NC1C=CN(C(N=1)=O)[C@H]1[C@H](O)[C@H](O)[C@@H](COP(OP(OC[C@@H]2C(S)=C(S)[C@@]3(NC4C(N=C(N)NC=4N[C@]3([H])O2)=O)[H])(O)=O)(O)=O)O1
胞苷5'-​(二磷酸三氢)“P”-​[[(5aR,​8R,​9aR)​-​2-​氨基-​1.​5.​5a中,​8.​9a中 10-​六氢的-​6.​7-​二巯基-​4-​氧代-​4小时-​吡喃并[3,​2-​克]​蝶呤-​8-​[基]​甲基]酯(9CI) InChi 编码:
1S/C19H26N8O13P2S2/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30)/t5-,6-,8+,10-,11-,16-,17-/m1/s1
胞苷5'-​(二磷酸三氢)“P”-​[[(5aR,​8R,​9aR)​-​2-​氨基-​1.​5.​5a中,​8.​9a中 10-​六氢的-​6.​7-​二巯基-​4-​氧代-​4小时-​吡喃并[3,​2-​克]​蝶呤-​8-​[基]​甲基]酯(9CI) InChiKey 编码:
WKSPNQYEWZEMMI-FEFZDOOUSA-N