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| Standard English name | |
|---|---|
| Cas No. | 163042-90-8 |
| Alias | (2R,3R,4S,5S)-2-(2-chloro-6-((3-iodobenzyl)amino)-9H-purin-9-yl)-5-(methylcarbamoyl)tetrahydrofuran-3,4-diyl dibenzoate |
| Canonical Smiles | CNC(=O)[C@H]1O[C@H]([C@H](OC(=O)C2C=CC=CC=2)[C@@H]1OC(=O)C1C=CC=CC=1)N1C=NC2=C(NCC3C=C(I)C=CC=3)N=C(Cl)N=C12 |
| MDL No. | |
| Exact Mass | 752.06470 |
| Smiles | O=C(NC)[C@@H]1[C@@H](OC(C2=CC=CC=C2)=O)[C@@H](OC(C3=CC=CC=C3)=O)[C@H](N4C=NC5=C(NCC6=CC=CC(I)=C6)N=C(Cl)N=C45)O1 |
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| Density | 1.68±0.1 g/cm3(Predicted) |
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| Useage | |
| Inchi | InChI=1S/C32H26ClIN6O6/c1-35-28(41)24-23(45-30(42)19-10-4-2-5-11-19)25(46-31(43)20-12-6-3-7-13-20)29(44-24)40-17-37-22-26(38-32(33)39-27(22)40)36-16-18-9-8-14-21(34)15-18/h2-15,17,23-25,29H,16H2,1H3,(H,35,41)(H,36,38,39)/t23-,24+,25-,29-/m1/s1 |
| InchiKey | ZGXIGEDIYHEGLW-MNGFJMBLSA-N |
| Remark |
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