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| Standard English name | |
|---|---|
| Cas No. | 112898-15-4 |
| Alias | (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-yl 4-benzoyl-2-(2-(diethylamino)ethyl)benzoate |
| Canonical Smiles | CCN(CCC1=CC(=CC=C1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(=O)C1C=CC=CC=1)CC |
| MDL No. | MFCD00058547 |
| Exact Mass | 814.15297 |
| Smiles | O=C(O[C@@H]1[C@@H](COP(OP(OP(O)(O)=O)(O)=O)(O)=O)O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@@H]1O)C4=CC=C(C(C5=CC=CC=C5)=O)C=C4CCN(CC)CC |
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| Inchi | InChI=1S/C30H37N6O15P3/c1-3-35(4-2)13-12-19-14-20(24(37)18-8-6-5-7-9-18)10-11-21(19)30(39)49-26-22(15-47-53(43,44)51-54(45,46)50-52(40,41)42)48-29(25(26)38)36-17-34-23-27(31)32-16-33-28(23)36/h5-11,14,16-17,22,25-26,29,38H,3-4,12-13,15H2,1-2H3,(H,43,44)(H,45,46)(H2,31,32,33)(H2,40,41,42)/t22-,25-,26-,29-/m1/s1 |
| InchiKey | DWVYCCYQURJQIS-QTWDEJAXSA-N |
| Remark |
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