| SpectraBase Compound ID | F0MRb6JYhgj |
|---|---|
| InChI | InChI=1S/C22H31N4O10PS/c1-11-7-25(21(30)23-19(11)29)18-6-14(15(9-27)34-18)36-37(4,32)33-10-16-13(28)5-17(35-16)26-8-12(2)20(38)24(3)22(26)31/h7-8,13-18,27-28H,5-6,9-10H2,1-4H3,(H,23,29,30)/t13-,14-,15+,16+,17+,18+,37?/m0/s1 |
| InChIKey | RHKNYMFHODSXSO-ZMKDRLENSA-N |
| Mol Weight | 574.54 g/mol |
| Molecular Formula | C22H31N4O10PS |
| Exact Mass | 574.149851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LQp49A7zLL |
|---|---|
| Name | (SP)-5'-N3-METHYL-4-THIOTHYMIDINE-3'-THYMIDINYL-METHYLPHOSPHONATE |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31N4O10PS |
| InChI | InChI=1S/C22H31N4O10PS/c1-11-7-25(21(30)23-19(11)29)18-6-14(15(9-27)34-18)36-37(4,32)33-10-16-13(28)5-17(35-16)26-8-12(2)20(38)24(3)22(26)31/h7-8,13-18,27-28H,5-6,9-10H2,1-4H3,(H,23,29,30)/t13-,14-,15+,16+,17+,18+,37?/m0/s1 |
| InChIKey | RHKNYMFHODSXSO-ZMKDRLENSA-N |
| Literature Reference Author | P.CLIVIO,J.L.FOURREY,T.SZABO,J.STAWINSKI |
| Literature Reference Citation | J.ORG.CHEM.,59,7273(1994) |
| Literature Reference DOI | 10.1021/jo00103a018 |
| Molecular Weight | 574.543 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP7485 |