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| Catalog Number | ONT98796511 |
| CAS | 98796-51-1 |
| Structure |  |
| Synonyms | DMT-dT Pharmadite(R) |
| IUPAC Name | 3-[[(2R,3S,5R)-2-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile |
| Molecular Weight | 744.8 |
| Molecular Formula | C40H49N4O8P |
| Canonical SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N |
| InChI | InChI=1S/C40H49N4O8P/c1-27(2)44(28(3)4)53(50-23-11-22-41)52-35-24-37(43-25-29(5)38(45)42-39(43)46)51-36(35)26-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32/h8-10,12-21,25,27-28,35-37H,11,23-24,26H2,1-7H3,(H,42,45,46)/t35-,36+,37+,53?/m0/s1 |
| InChI Key | UNOTXUFIWPRZJX-CEXSRUIHSA-N |
| Purity | 99%+ (HPLC) |
| Complexity | 1240 |
| Exact Mass | 744.32880153 |
| Heavy Atom Count | 53 |
| Isomeric SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N |
| Monoisotopic Mass | 744.32880153 |
| Topological Polar Surface Area | 132Ų |
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