![5'-o-(4,4'-Dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[2-[N-methyl-4-(dimethylamino)-benzamido]-ethoxy]-phosphinyl-2'-deoxythymidine;fast-diaste](/api/spectrum/HCkOccERfk2/structure.png?h=300&w=458 "5'-o-(4,4'-Dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[2-[N-methyl-4-(dimethylamino)-benzamido]-ethoxy]-phosphinyl-2'-deoxythymidine;fast-diaste")
| SpectraBase Compound ID | FCnhco7I40u |
|---|---|
| InChI | InChI=1S/C49H62N5O9P/c1-33(2)54(34(3)4)64(61-29-28-52(8)47(56)36-16-22-40(23-17-36)51(6)7)63-43-30-45(53-31-35(5)46(55)50-48(53)57)62-44(43)32-60-49(37-14-12-11-13-15-37,38-18-24-41(58-9)25-19-38)39-20-26-42(59-10)27-21-39/h11-27,31,33-34,43-45H,28-30,32H2,1-10H3,(H,50,55,57)/t43-,44+,45+,64?/m1/s1 |
| InChIKey | KMARNINITSLOAP-POFQOQANSA-N |
| Mol Weight | 896.0 g/mol |
| Molecular Formula | C49H62N5O9P |
| Exact Mass | 895.428516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCkOccERfk2 |
|---|---|
| Name | 5'-o-(4,4'-Dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[2-[N-methyl-4-(dimethylamino)-benzamido]-ethoxy]-phosphinyl-2'-deoxythymidine;fast-diaste |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 895.428515585 u |
| Formula | C49H62N5O9P |
| InChI | InChI=1S/C49H62N5O9P/c1-33(2)54(34(3)4)64(61-29-28-52(8)47(56)36-16-22-40(23-17-36)51(6)7)63-43-30-45(53-31-35(5)46(55)50-48(53)57)62-44(43)32-60-49(37-14-12-11-13-15-37,38-18-24-41(58-9)25-19-38)39-20-26-42(59-10)27-21-39/h11-27,31,33-34,43-45H,28-30,32H2,1-10H3,(H,50,55,57)/t43-,44+,45+,64?/m1/s1 |
| InChIKey | KMARNINITSLOAP-POFQOQANSA-N |
| Molecular Weight | 896.035 g/mol |
| SMILES | [C@]1(O[C@]([C@@](C1)(OP(N(C(C)C)C(C)C)OCCN(C)C(=O)C1=CC=C(C=C1)N(C)C)[H])(COC(C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)C1=CC=CC=C1)[H])(N1C(=O)NC(=O)C(C)=C1)[H] |