| Catalog Number | ONT956139256 |
| CAS | 956139-25-6 |
| Synonyms | Dimethyl-phosphoramidochloridic acid 6-(2-isobutyrylamino-6-oxo-1,6-dihydro-purin-9-yl)-4-trityl-morpholin-2-ylmethyl ester |
| IUPAC Name | N-[9-[(2R,6S)-6-[[Chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide |
| Molecular Weight | 704.2 |
| Molecular Formula | C35H39ClN7O5P |
| Canonical SMILES | CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3CN(CC(O3)COP(=O)(N(C)C)Cl)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 |
| InChI | InChI=1S/C35H39ClN7O5P/c1-24(2)32(44)39-34-38-31-30(33(45)40-34)37-23-43(31)29-21-42(20-28(48-29)22-47-49(36,46)41(3)4)35(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,23-24,28-29H,20-22H2,1-4H3,(H2,38,39,40,44,45)/t28-,29+,49?/m0/s1 |
| InChI Key | JEXKEVAZWLLEBW-OXJZQVEGSA-N |
| Purity | 99%+ (HPLC) |
| Complexity | 1190 |
| Exact Mass | 703.2438821 |
| Heavy Atom Count | 49 |
| Isomeric SMILES | CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3CN(C[C@H](O3)COP(=O)(N(C)C)Cl)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 |
| Monoisotopic Mass | 703.2438821 |
| Topological Polar Surface Area | 130Ų |
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