![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](/api/spectrum/6E8BorPO0RQ/structure.png?h=300&w=458 "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")
| SpectraBase Compound ID | Eceds3XwOFK |
|---|---|
| InChI | InChI=1S/C32H35N5O6/c1-36(2)21-33-31-35-29(39)19-34-37(31)30-18-27(38)28(43-30)20-42-32(22-8-6-5-7-9-22,23-10-14-25(40-3)15-11-23)24-12-16-26(41-4)17-13-24/h5-17,19,21,27-28,30,38H,18,20H2,1-4H3/b33-21+/t27-,28+,30+/m0/s1 |
| InChIKey | PVCKYCSSQZKULL-SIUFQQEUSA-N |
| Mol Weight | 585.7 g/mol |
| Molecular Formula | C32H35N5O6 |
| Exact Mass | 585.258734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6E8BorPO0RQ |
|---|---|
| Name | 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 |
| Compound Number | 14B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H35N5O6 |
| InChI | InChI=1S/C32H35N5O6/c1-36(2)21-33-31-35-29(39)19-34-37(31)30-18-27(38)28(43-30)20-42-32(22-8-6-5-7-9-22,23-10-14-25(40-3)15-11-23)24-12-16-26(41-4)17-13-24/h5-17,19,21,27-28,30,38H,18,20H2,1-4H3/b33-21+/t27-,28+,30+/m0/s1 |
| InChIKey | PVCKYCSSQZKULL-SIUFQQEUSA-N |
| Literature Reference Author | F.SEELA,Y.HE |
| Literature Reference Citation | J.ORG.CHEM.,68,367(2003) |
| Literature Reference DOI | 10.1021/jo020507n |
| Molecular Weight | 585.660 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN25015 |