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| Standard English name | |
|---|---|
| Cas No. | 1312013-29-8 |
| Alias | tetrasodium;[[(2R,3S,4R)-3-acetyloxy-4,5-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;[[(2R,3R,4R)-4-acetyloxy-3,5-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
| Canonical Smiles | [Na+].[Na+].[Na+].[Na+].CC(=O)O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3C2=NC=NC=3N)OC(O)[C@@H]1O.CC(=O)O[C@@H]1[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3C2=NC=NC=3N)OC1O |
| MDL No. | |
| Exact Mass | 1,290.09226 |
| Smiles | CC(O[C@@H]1[C@@H](COP([O-])(OP([O-])(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H](N3C=NC4=C(N)N=CN=C43)O2)=O)=O)OC(O)[C@@H]1O)=O.CC(O[C@@H]5[C@H](O)[C@@H](COP([O-])(OP([O-])(OC[C@@H]6[C@@H](O)[C@@H](O)[C@H](N7C=NC8=C(N)N=CN=C87)O6)=O)=O)OC5O)=O.[Na+].[Na+].[Na+].[Na+] |
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| Inchi | InChI=1S/2C17H25N5O15P2.4Na/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22;1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22;;;;/h2*4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20);;;;/q;;4*+1/p-4/t2*7-,8-,10-,11-,12-,13-,16-,17?;;;;/m11..../s1 |
| InchiKey | WMDCRUFIJFNZRB-YJLIMONTSA-J |
| Remark |
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