| SpectraBase Compound ID | LmMm9NjvI1m |
|---|---|
| InChI | InChI=1S/C34H36N3O9P/c1-23-21-37(33(39)36-32(23)38)31-20-29(46-47(40)44-19-7-18-35)30(45-31)22-43-34(24-8-5-4-6-9-24,25-10-14-27(41-2)15-11-25)26-12-16-28(42-3)17-13-26/h4-6,8-17,21,29-31,47H,7,19-20,22H2,1-3H3,(H,36,38,39)/t29-,30?,31+/m0/s1 |
| InChIKey | NCNQBMWZLFKDQR-GAGJGVLVSA-N |
| Mol Weight | 661.6 g/mol |
| Molecular Formula | C34H36N3O9P |
| Exact Mass | 661.218917 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86fbZpVVO8S |
|---|---|
| Name | 5'-O-(P,P'-DIMETHOXYTRITYL)-THYMIDINE-3'-(2-CYANOETHYL)-H-PHOSPHONATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H36N3O9P |
| InChI | InChI=1S/C34H36N3O9P/c1-23-21-37(33(39)36-32(23)38)31-20-29(46-47(40)44-19-7-18-35)30(45-31)22-43-34(24-8-5-4-6-9-24,25-10-14-27(41-2)15-11-25)26-12-16-28(42-3)17-13-26/h4-6,8-17,21,29-31,47H,7,19-20,22H2,1-3H3,(H,36,38,39)/t29-,30?,31+/m0/s1 |
| InChIKey | NCNQBMWZLFKDQR-GAGJGVLVSA-N |
| Literature Reference Author | K.J.PADIYA,M.M.SALUNKHE |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,337(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(99)00287-4 |
| Solvent | CD3CN |
| Source File Reference | UWSI21109 |