![5'-O-[6-[(TOL-4-YL)-SULFONYLOXY]-HEXYL]-ADENOSINE](/api/spectrum/HxlyVQtKWNd/structure.png?h=300&w=458 "5'-O-[6-[(TOL-4-YL)-SULFONYLOXY]-HEXYL]-ADENOSINE")
| SpectraBase Compound ID | 90aj92T1vS4 |
|---|---|
| InChI | InChI=1S/C23H31N5O7S/c1-15-6-8-16(9-7-15)36(31,32)34-11-5-3-2-4-10-33-12-17-19(29)20(30)23(35-17)28-14-27-18-21(24)25-13-26-22(18)28/h6-9,13-14,17,19-20,23,29-30H,2-5,10-12H2,1H3,(H2,24,25,26)/t17-,19-,20-,23-/m0/s1 |
| InChIKey | DVNQQXAZZSRWCD-UDSSINMLSA-N |
| Mol Weight | 521.59 g/mol |
| Molecular Formula | C23H31N5O7S |
| Exact Mass | 521.19442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HxlyVQtKWNd |
|---|---|
| Name | 5'-O-[6-[(TOL-4-YL)-SULFONYLOXY]-HEXYL]-ADENOSINE |
| Compound Number | 12D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H31N5O7S |
| InChI | InChI=1S/C23H31N5O7S/c1-15-6-8-16(9-7-15)36(31,32)34-11-5-3-2-4-10-33-12-17-19(29)20(30)23(35-17)28-14-27-18-21(24)25-13-26-22(18)28/h6-9,13-14,17,19-20,23,29-30H,2-5,10-12H2,1H3,(H2,24,25,26)/t17-,19-,20-,23-/m0/s1 |
| InChIKey | DVNQQXAZZSRWCD-UDSSINMLSA-N |
| Literature Reference Author | L.POPPE,W.E.HULL,J.RETEY |
| Literature Reference Citation | HELV.CHIM.ACTA,76,2367(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760623 |
| Molecular Weight | 521.588 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSK33 |