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| Standard English name | |
|---|---|
| Cas No. | 74792-78-2 |
| Alias | sodium;[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methanolate |
| Canonical Smiles | [Na+].NC1N=CN=C2C=1N=CN2[C@@H]1O[C@H](C[O-])[C@H]2OC3(O[C@@H]12)C(C=C(C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |
| MDL No. | |
| Exact Mass | 500.06523 |
| Smiles | [O-]C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@]4([H])OC5(C([N+]([O-])=O)=CC([N+]([O-])=O)=CC5[N+]([O-])=O)O[C@@]41[H].[Na+] |
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| Inchi | InChI=1S/C16H13N8O10.Na/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(3-25)32-15)33-16(34-12)8(23(28)29)1-6(22(26)27)2-9(16)24(30)31;/h1-2,4-5,7-8,11-12,15H,3H2,(H2,17,18,19);/q-1;+1/t7-,8?,11-,12-,15-,16?;/m1./s1 |
| InchiKey | IKCKTZDNJROBPG-RUQMBEDUSA-N |
| Remark |
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