| Catalog Number | ONT956139212 |
| CAS | 956139-21-2 |
| Synonyms | ((2S,6R)-6-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-4-tritylmorpholin-2-yl)methyl dimethylphosphoramidochloridate |
| IUPAC Name | N-[1-[(2R,6S)-6-[[Chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide |
| Molecular Weight | 698.1 |
| Molecular Formula | C37H37ClN5O5P |
| Canonical SMILES | CN(C)P(=O)(OCC1CN(CC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)Cl |
| InChI | InChI=1S/C37H37ClN5O5P/c1-41(2)49(38,46)47-27-32-25-42(26-34(48-32)43-24-23-33(40-36(43)45)39-35(44)28-15-7-3-8-16-28)37(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-24,32,34H,25-27H2,1-2H3,(H,39,40,44,45)/t32-,34+,49?/m0/s1 |
| InChI Key | RCQVHNTXMQCQLT-AUIRFOQBSA-N |
| Purity | 99%+ (HPLC) |
| Complexity | 1190 |
| Exact Mass | 697.2220840 |
| Heavy Atom Count | 49 |
| Isomeric SMILES | CN(C)P(=O)(OC[C@@H]1CN(C[C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)Cl |
| Monoisotopic Mass | 697.2220840 |
| Topological Polar Surface Area | 104Ų |
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