![#15B;2-[2-Deoxy-5-o-(4,4'-dimethoxytrityl)-beta-D-erythro-pentofuranosyl]-3-[(N,N-dimethylamino)-methylidene]-amino-1,2,4-triazin-5-(2H)-one-3'-o-(2-cyanoethyl](/api/spectrum/1lstteM1DwF/structure.png?h=300&w=458 "#15B;2-[2-Deoxy-5-o-(4,4'-dimethoxytrityl)-beta-D-erythro-pentofuranosyl]-3-[(N,N-dimethylamino)-methylidene]-amino-1,2,4-triazin-5-(2H)-one-3'-o-(2-cyanoethyl")
| SpectraBase Compound ID | 6IBJRcukOZa |
|---|---|
| InChI | InChI=1S/2C41H52N7O7P/c2*1-29(2)48(30(3)4)56(53-24-12-23-42)55-36-25-39(47-40(43-28-46(5)6)45-38(49)26-44-47)54-37(36)27-52-41(31-13-10-9-11-14-31,32-15-19-34(50-7)20-16-32)33-17-21-35(51-8)22-18-33/h2*9-11,13-22,26,28-30,36-37,39H,12,24-25,27H2,1-8H3/b2*43-28+/t2*36-,37+,39+,56?/m11/s1 |
| InChIKey | YQPZTCGEMLLAOT-BGRRHPHLSA-N |
| Mol Weight | 1571.8 g/mol |
| Molecular Formula | C82H104N14O14P2 |
| Exact Mass | 1570.733168 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lstteM1DwF |
|---|---|
| Name | #15B;2-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-3-[(N,N-DIMETHYLAMINO)-METHYLIDENE]-AMINO-1,2,4-TRIAZIN-5-(2H)-ONE-3'-O-(2-CYANOETHYL |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H104N14O14P2 |
| InChI | InChI=1S/2C41H52N7O7P/c2*1-29(2)48(30(3)4)56(53-24-12-23-42)55-36-25-39(47-40(43-28-46(5)6)45-38(49)26-44-47)54-37(36)27-52-41(31-13-10-9-11-14-31,32-15-19-34(50-7)20-16-32)33-17-21-35(51-8)22-18-33/h2*9-11,13-22,26,28-30,36-37,39H,12,24-25,27H2,1-8H3/b2*43-28+/t2*36-,37+,39+,56?/m11/s1 |
| InChIKey | YQPZTCGEMLLAOT-BGRRHPHLSA-N |
| Literature Reference Author | F.SEELA,Y.HE |
| Literature Reference Citation | J.ORG.CHEM.,68,367(2003) |
| Literature Reference DOI | 10.1021/jo020507n |
| Solvent | CDCl3 |
| Source File Reference | UWVN25027 |