![#13;2-ISOBUTYRYLAMINO-6-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDIN-4(3H)-ONE-3'-(2-CYANOETHYL-N,N-DIISOPRO](/api/spectrum/9BCPQgISZmX/structure.png?h=300&w=458 "#13;2-ISOBUTYRYLAMINO-6-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDIN-4(3H)-ONE-3'-(2-CYANOETHYL-N,N-DIISOPRO")
| SpectraBase Compound ID | 7oeatcPcnwQ |
|---|---|
| InChI | InChI=1S/2C45H55N6O8P/c2*1-28(2)42(52)49-44-48-41-36(43(53)50-44)25-37(47-41)38-26-39(59-60(57-24-12-23-46)51(29(3)4)30(5)6)40(58-38)27-56-45(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h2*9-11,13-22,25,28-30,38-40H,12,24,26-27H2,1-8H3,(H3,47,48,49,50,52,53) |
| InChIKey | KTZJZQITZVBXKY-UHFFFAOYSA-N |
| Mol Weight | 1677.9 g/mol |
| Molecular Formula | C90H110N12O16P2 |
| Exact Mass | 1676.763799 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BCPQgISZmX |
|---|---|
| Name | #13;2-ISOBUTYRYLAMINO-6-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDIN-4(3H)-ONE-3'-(2-CYANOETHYL-N,N-DIISOPRO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H110N12O16P2 |
| InChI | InChI=1S/2C45H55N6O8P/c2*1-28(2)42(52)49-44-48-41-36(43(53)50-44)25-37(47-41)38-26-39(59-60(57-24-12-23-46)51(29(3)4)30(5)6)40(58-38)27-56-45(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h2*9-11,13-22,25,28-30,38-40H,12,24,26-27H2,1-8H3,(H3,47,48,49,50,52,53) |
| InChIKey | KTZJZQITZVBXKY-UHFFFAOYSA-N |
| Literature Reference Author | F.SEELA,H.DEBELAK |
| Literature Reference Citation | J.ORG.CHEM.,66,3303(2001) |
| Literature Reference DOI | 10.1021/jo001498q |
| Solvent | CDCl3 |
| Source File Reference | UWMS26794 |