![3'-Deoxy-3'(S)-[2"-phenylthioethyl]-Adenosine](/api/spectrum/KDOMllbq5Oi/structure.png?h=300&w=458 "3'-Deoxy-3'(S)-[2\"-phenylthioethyl]-Adenosine")
| SpectraBase Compound ID | KDgLKi4F09C |
|---|---|
| InChI | InChI=1S/C18H21N5O3S/c19-16-14-17(21-9-20-16)23(10-22-14)18-15(25)12(13(8-24)26-18)6-7-27-11-4-2-1-3-5-11/h1-5,9-10,12-13,15,18,24-25H,6-8H2,(H2,19,20,21)/t12-,13-,15-,18-/m1/s1 |
| InChIKey | HJGBDGVYGCERSI-HOPMXRPOSA-N |
| Mol Weight | 387.46 g/mol |
| Molecular Formula | C18H21N5O3S |
| Exact Mass | 387.136511 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KDOMllbq5Oi |
|---|---|
| Name | 3'-Deoxy-3'(S)-[2"-phenylthioethyl]-Adenosine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H21N5O3S |
| InChI | InChI=1S/C18H21N5O3S/c19-16-14-17(21-9-20-16)23(10-22-14)18-15(25)12(13(8-24)26-18)6-7-27-11-4-2-1-3-5-11/h1-5,9-10,12-13,15,18,24-25H,6-8H2,(H2,19,20,21)/t12-,13-,15-,18-/m1/s1 |
| InChIKey | HJGBDGVYGCERSI-HOPMXRPOSA-N |
| Molecular Weight | 387.458 g/mol |
| SMILES | OC[C@]1(O[C@]([C@@]([C@@]1(CCSc1ccccc1)[H])(O)[H])([n]1c2c(c(N)ncn2)nc1)[H])[H] |
| SPLASH | splash10-0670-0029000000-fa571fbc7a3d6803c403 |
| Source of Spectrum | E1-34-22-22a |
| Wiley ID | 1710323 |