![P(1)-[ADENOSIN-5'-YL]-P(2)-[ALPHA/BETA-D-RIBOFURANOSID-5''-YL]-ACETYLENE-BIS-(PHOSPHONATE)](/api/spectrum/8mIPIPOBDJT/structure.png?h=300&w=458 "P(1)-[ADENOSIN-5'-YL]-P(2)-[ALPHA/BETA-D-RIBOFURANOSID-5''-YL]-ACETYLENE-BIS-(PHOSPHONATE)")
| SpectraBase Compound ID | JyR9wBBaXqh |
|---|---|
| InChI | InChI=1S/C17H23N5O13P2/c18-14-9-15(20-5-19-14)22(6-21-9)16-12(25)10(23)7(34-16)3-32-36(28,29)1-2-37(30,31)33-4-8-11(24)13(26)17(27)35-8/h5-8,10-13,16-17,23-27H,3-4H2,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8+,10-,11+,12-,13+,16-,17?/m0/s1 |
| InChIKey | XLIYXDOUAZPALM-VXBPORNISA-N |
| Mol Weight | 567.34 g/mol |
| Molecular Formula | C17H23N5O13P2 |
| Exact Mass | 567.07676 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mIPIPOBDJT |
|---|---|
| Name | P(1)-[ADENOSIN-5'-YL]-P(2)-[ALPHA/BETA-D-RIBOFURANOSID-5''-YL]-ACETYLENE-BIS-(PHOSPHONATE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H21N5O13P2 |
| InChI | InChI=1S/C17H23N5O13P2/c18-14-9-15(20-5-19-14)22(6-21-9)16-12(25)10(23)7(34-16)3-32-36(28,29)1-2-37(30,31)33-4-8-11(24)13(26)17(27)35-8/h5-8,10-13,16-17,23-27H,3-4H2,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8+,10-,11+,12-,13+,16-,17?/m0/s1 |
| InChIKey | XLIYXDOUAZPALM-VXBPORNISA-N |
| Literature Reference Author | K.V.DERPOORTEN,M.E.MIGAUD |
| Literature Reference Citation | ORG.LETTERS,6,3461(2004) |
| Literature Reference DOI | 10.1021/ol0488993 |
| Solvent | D2O |
| Source File Reference | UWSI33356 |