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| Standard English name | |
|---|---|
| Cas No. | 6674-45-9 |
| Alias | bis[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate |
| Canonical Smiles | NC1NC(=O)C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C4N=C(N)NC5=O)[C@@H](O)[C@H]3O)C=2N=1 |
| MDL No. | MFCD34474133 |
| Exact Mass | 788.07176 |
| Smiles | O=P(O)(OP(O)(OP(O)(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C=NC3=C2N=C(N)NC3=O)O1)=O)=O)OC[C@@H](O4)[C@@H](O)[C@@H](O)[C@@H]4N5C(N=C(N)NC6=O)=C6N=C5 |
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| Density | 2.69±0.1 g/cm3(Predicted) |
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| Inchi | InChI=1S/C20H27N10O18P3/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(45-17)1-43-49(37,38)47-51(41,42)48-50(39,40)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 |
| InchiKey | AAXYAFFKOSNMEB-MHARETSRSA-N |
| Remark |
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