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| Standard English name | |
|---|---|
| Cas No. | 120229-04-1 |
| Alias | (2R,3R,4R,5R)-2-(6-amino-8-azido-9H-purin-9-yl)-5-(hydroxymethyl)-4-(2,4,6-trinitrophenoxy)tetrahydrofuran-3-yl dihydrogen phosphate |
| Canonical Smiles | [N-]=[N+]=NC1=NC2=C(N)N=CN=C2N1[C@@H]1O[C@H](CO)[C@@H](OC2C(=CC(=CC=2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[C@H]1OP(O)(O)=O |
| MDL No. | |
| Exact Mass | 599.05102 |
| Smiles | OC[C@@H]1[C@H]([C@@H](OP(O)(O)=O)[C@H](N2C(N=[N+]=[N-])=NC3=C(N=CN=C32)N)O1)OC4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4[N+]([O-])=O |
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| Inchi | InChI=1S/C16H14N11O13P/c17-13-9-14(20-4-19-13)24(16(21-9)22-23-18)15-12(40-41(35,36)37)11(8(3-28)38-15)39-10-6(26(31)32)1-5(25(29)30)2-7(10)27(33)34/h1-2,4,8,11-12,15,28H,3H2,(H2,17,19,20)(H2,35,36,37)/t8-,11-,12-,15-/m1/s1 |
| InchiKey | JJHQQLPGNMVGJN-PMXXHBEXSA-N |
| Remark |
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