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| Standard English name | |
|---|---|
| Cas No. | 3352-23-6 |
| Alias | ((2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl) hydrogen phosphate |
| Canonical Smiles | NC1N=CN=C2C=1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@H]1O |
| MDL No. | |
| Exact Mass | 612.14419 |
| Smiles | OC[C@@H](O1)[C@@H](OP(O)(OC[C@@H]2[C@@H](O)[C@@H](O)[C@H](N3C=NC4=C3N=C(N)NC4=O)O2)=O)[C@@H](O)[C@@H]1N5C6=NC=NC(N)=C6N=C5 |
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| Density | 2.41±0.1 g/cm3(Predicted) |
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| Inchi | InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)39-19)41-42(36,37)38-2-7-10(32)11(33)18(40-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 |
| InchiKey | LWBLDUTUVIXFJE-INFSMZHSSA-N |
| Remark |
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