![N-[5'-O-(4,4'-DIMETHOXYTRITYL)-3'-AMINO-3'-DEOXYTHYMIDIN-3'-YL]-O-[N-(4)-BENZOYL-2'-DEOXYCYTIDIN-5'-YL]-METHANEPHOSPHONAMIDATE;FAST](/api/spectrum/8uqjRgJ8NAr/structure.png?h=300&w=458 "N-[5'-O-(4,4'-DIMETHOXYTRITYL)-3'-AMINO-3'-DEOXYTHYMIDIN-3'-YL]-O-[N-(4)-BENZOYL-2'-DEOXYCYTIDIN-5'-YL]-METHANEPHOSPHONAMIDATE;FAST")
| SpectraBase Compound ID | F22ba0rW3nF |
|---|---|
| InChI | InChI=1S/C48H51N6O12P/c1-30-27-54(47(59)51-44(30)56)42-25-37(39(65-42)28-63-48(32-13-9-6-10-14-32,33-15-19-35(61-2)20-16-33)34-17-21-36(62-3)22-18-34)52-67(4,60)64-29-40-38(55)26-43(66-40)53-24-23-41(50-46(53)58)49-45(57)31-11-7-5-8-12-31/h5-24,27,37-40,42-43,55H,25-26,28-29H2,1-4H3,(H,52,60)(H,51,56,59)(H,49,50,57,58)/t37-,38+,39+,40-,42+,43-,67?/m0/s1 |
| InChIKey | ZYLYATOLXIXEQD-LXVXCVBMSA-N |
| Mol Weight | 934.9 g/mol |
| Molecular Formula | C48H51N6O12P |
| Exact Mass | 934.330258 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uqjRgJ8NAr |
|---|---|
| Name | N-[5'-O-(4,4'-DIMETHOXYTRITYL)-3'-AMINO-3'-DEOXYTHYMIDIN-3'-YL]-O-[N-(4)-BENZOYL-2'-DEOXYCYTIDIN-5'-YL]-METHANEPHOSPHONAMIDATE;SLOW |
| Compound Number | 12AB |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H51N6O12P |
| InChI | InChI=1S/C48H51N6O12P/c1-30-27-54(47(59)51-44(30)56)42-25-37(39(65-42)28-63-48(32-13-9-6-10-14-32,33-15-19-35(61-2)20-16-33)34-17-21-36(62-3)22-18-34)52-67(4,60)64-29-40-38(55)26-43(66-40)53-24-23-41(50-46(53)58)49-45(57)31-11-7-5-8-12-31/h5-24,27,37-40,42-43,55H,25-26,28-29H2,1-4H3,(H,52,60)(H,51,56,59)(H,49,50,57,58)/t37-,38+,39+,40-,42+,43-,67?/m0/s1 |
| InChIKey | ZYLYATOLXIXEQD-LXVXCVBMSA-N |
| Literature Reference Author | B.NAWROT,M.SOBCZAK,S.ANTOSZCZYK |
| Literature Reference Citation | ORG.LETTERS,4,1799(2002) |
| Literature Reference DOI | 10.1021/ol0259084 |
| Solvent | CDCl3 |
| Source File Reference | UWVN33571 |