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| Standard English name | |
|---|---|
| Cas No. | 117146-00-6 |
| Alias | 2-((2S,3S,4R,5R)-5-(6-amino-2,2-diazido-2,3-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)-1-((2R,3R,4R,5R)-5-(6-amino-2-azido-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)-3-((2R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)-2,5-dihydrofuran-2-yl)propan-2-yl tetrahydrogen triphosphate |
| Canonical Smiles | [N-]=[N+]=NC1=NC(N)=C2N=CN([C@@H]3O[C@H](CC(C[C@H]4O[C@H](C(OP(O)(O)=O)=C4O)N4C=NC5C4=NC=NC=5N)(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C4NC(N=C5N)(N=[N+]=[N-])N=[N+]=[N-])[C@@H](O)[C@H]3OP(O)(O)=O)C2=N1 |
| MDL No. | |
| Exact Mass | 1,288.10497 |
| Smiles | O=P(OP(OP(O)(O)=O)(O)=O)(OC(C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)C(OP(O)(O)=O)=C1O)([C@H]4O[C@@H](N5C=NC6=C5NC(N=[N+]=[N-])(N=[N+]=[N-])N=C6N)[C@H](O)[C@@H]4O)C[C@H]7O[C@@H](N8C=NC9=C(N)N=C(N=[N+]=[N-])N=C89)[C@H](OP(O)(O)=O)[C@@H]7O)O |
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| Inchi | InChI=1S/C30H37N24O25P5/c31-19-9-22(38-3-37-19)52(4-39-9)26-16(75-80(59,60)61)12(55)7(72-26)1-29(77-83(68,69)79-84(70,71)78-82(65,66)67,18-14(57)15(58)25(74-18)54-6-41-11-21(33)44-30(47-50-35,48-51-36)45-24(11)54)2-8-13(56)17(76-81(62,63)64)27(73-8)53-5-40-10-20(32)42-28(46-49-34)43-23(10)53/h3-8,13-15,17-18,25-27,45,55-58H,1-2H2,(H2,33,44)(H,68,69)(H,70,71)(H2,31,37,38)(H2,32,42,43)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)/t7-,8-,13-,14+,15-,17-,18+,25-,26-,27-,29?/m1/s1 |
| InchiKey | LHWFCDORCINDOI-GEUKKMLWSA-N |
| Remark |
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