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| Standard English name | |
|---|---|
| Cas No. | 188631-03-0 |
| Alias | Inosine, 3′-azido-3′-deoxythymidylyl-(5′→5′)-2′,3′-dideoxy-, calcium salt (2:1) |
| Canonical Smiles | [Ca].CC1=CN(C2CC(N=[N+]=[N-])C(COP(O)(=O)OCC3CCC(O3)N3C=NC4=C3NC=NC4=O)O2)C(=O)NC1=O |
| MDL No. | |
| Exact Mass | 605.10605 |
| Smiles | [Ca].[N-]=[N+]=NC1CC(OC1COP(=O)(O)OCC2OC(N3C=NC=4C(=O)N=CNC43)CC2)N5C=C(C(=O)NC5=O)C |
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| Inchi | InChI=1S/C20H24N9O9P.Ca/c1-10-5-28(20(32)25-18(10)30)15-4-12(26-27-21)13(38-15)7-36-39(33,34)35-6-11-2-3-14(37-11)29-9-24-16-17(29)22-8-23-19(16)31;/h5,8-9,11-15H,2-4,6-7H2,1H3,(H,33,34)(H,22,23,31)(H,25,30,32); |
| InchiKey | PEPDQVDTWCPSIY-UHFFFAOYSA-N |
| Remark |
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