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| Standard English name | |
|---|---|
| Cas No. | 1184-16-3 |
| Alias | sodium;[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
| Canonical Smiles | [Na+].NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3C2=NC=NC=3N)[C@@H](O)[C@H]1O |
| MDL No. | MFCD00036973 |
| Exact Mass | 765.05740 |
| Smiles | O=P(OP([O-])(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@H](OP(O)(O)=O)[C@@H]1O)=O)([O-])OC[C@H]4O[C@@H]([N+]5=CC=CC(C(N)=O)=C5)[C@H](O)[C@@H]4O.[Na+] |
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| Melting Point | 175-178 °C |
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| Inchi | InChI=1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1 |
| InchiKey | JNUMDLCHLVUHFS-QYZPTAICSA-M |
| Remark |
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