![3'-Deoxy-3'-C-[(hydroxyphosphinyl)]-methyl-5'-o-(4-methoxytrityl)-thymidine-triethylamine-salt](/api/spectrum/AIX5s6knSx0/structure.png?h=300&w=458 "3'-Deoxy-3'-C-[(hydroxyphosphinyl)]-methyl-5'-o-(4-methoxytrityl)-thymidine-triethylamine-salt")
| SpectraBase Compound ID | 35Pn6J4PIwK |
|---|---|
| InChI | InChI=1S/C31H33N2O7P.C9H21N/c1-21-18-33(30(35)32-29(21)34)28-17-22(20-41(36)37)27(40-28)19-39-31(23-9-5-3-6-10-23,24-11-7-4-8-12-24)25-13-15-26(38-2)16-14-25;1-4-7-10(8-5-2)9-6-3/h3-16,18,22,27-28,41H,17,19-20H2,1-2H3,(H,36,37)(H,32,34,35);4-9H2,1-3H3/t22-,27-,28-;/m0./s1 |
| InChIKey | MJLAZSNTGRWRIN-KQBPGWGASA-N |
| Mol Weight | 719.9 g/mol |
| Molecular Formula | C40H54N3O7P |
| Exact Mass | 719.369938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIX5s6knSx0 |
|---|---|
| Name | 3'-Deoxy-3'-C-[(hydroxyphosphinyl)]-methyl-5'-o-(4-methoxytrityl)-thymidine-triethylamine-salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 719.369938082 u |
| Formula | C40H54N3O7P |
| InChI | InChI=1S/C31H33N2O7P.C9H21N/c1-21-18-33(30(35)32-29(21)34)28-17-22(20-41(36)37)27(40-28)19-39-31(23-9-5-3-6-10-23,24-11-7-4-8-12-24)25-13-15-26(38-2)16-14-25;1-4-7-10(8-5-2)9-6-3/h3-16,18,22,27-28,41H,17,19-20H2,1-2H3,(H,36,37)(H,32,34,35);4-9H2,1-3H3/t22-,27-,28-;/m0./s1 |
| InChIKey | MJLAZSNTGRWRIN-KQBPGWGASA-N |
| Molecular Weight | 719.860 g/mol |
| Nominal Mass | 719 u |
| SMILES | C([NH+](CCC)CCC)CC.[C@]1(O[C@]([C@@](C1)(CP(=O)[O-])[H])(COC(C1=CC=C(C=C1)OC)(C1=CC=CC=C1)C1=CC=CC=C1)[H])(N1C(=O)NC(=O)C(=C1)C)[H] |