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| Standard English name | |
|---|---|
| Cas No. | 117489-85-7 |
| Alias | [(2R,3S,5R)-2-[2-[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]-2-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]propyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate |
| Canonical Smiles | CC1=CN([C@H]2C[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](CC(C[C@H]3O[C@H](C[C@@H]3O)N3C=NC4C3=NC=NC=4N)(OC[C@H]3O[C@H](C[C@@H]3O)N3C=CC(N)=NC3=O)[C@H]3O[C@H](C[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)O2)C(=O)NC1=O |
| MDL No. | |
| Exact Mass | 1,173.24677 |
| Smiles | O=P(OP(OP(O)(O)=O)(O)=O)(O[C@@H]1[C@@H](CC(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)C[C@@H]2O)([C@H]4O[C@@H](N5C=NC6=C5N=C(N)NC6=O)C[C@@H]4O)C[C@H]7O[C@@H](N8C=NC9=C(N)N=CN=C89)C[C@@H]7O)O[C@@H](N(C(N%10)=O)C=C(C)C%10=O)C1)O |
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| Inchi | InChI=1S/C39H50N15O22P3/c1-15-10-52(38(61)50-34(15)58)27-7-19(74-78(65,66)76-79(67,68)75-77(62,63)64)21(71-27)9-39(69-11-22-17(56)5-24(72-22)51-3-2-23(40)47-37(51)60,8-20-16(55)4-25(70-20)53-13-45-28-31(41)43-12-44-32(28)53)30-18(57)6-26(73-30)54-14-46-29-33(54)48-36(42)49-35(29)59/h2-3,10,12-14,16-22,24-27,30,55-57H,4-9,11H2,1H3,(H,65,66)(H,67,68)(H2,40,47,60)(H2,41,43,44)(H,50,58,61)(H2,62,63,64)(H3,42,48,49,59)/t16-,17-,18-,19-,20+,21+,22+,24+,25+,26+,27+,30-,39?/m0/s1 |
| InchiKey | YQAPYMRZMZFFPA-UFFQPUODSA-N |
| Remark |
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