![9-[5-O-PIVALOYL-3-DEOXY-3-S-(O-METHYL-PHOSPHOROTHIOLATE)-BETA-D-RIBOFURANOSYL]-HYPOXANTHINE-TRIETHYLAMMONIUM-SALT;ISP-ME](/api/spectrum/8LgAyPQ7kWF/structure.png?h=300&w=458 "9-[5-O-PIVALOYL-3-DEOXY-3-S-(O-METHYL-PHOSPHOROTHIOLATE)-BETA-D-RIBOFURANOSYL]-HYPOXANTHINE-TRIETHYLAMMONIUM-SALT;ISP-ME")
| SpectraBase Compound ID | FSBT4JgGOu8 |
|---|---|
| InChI | InChI=1S/C16H23N4O8PS.C6H15N/c1-16(2,3)15(23)27-5-8-11(30-29(24,25)26-4)10(21)14(28-8)20-7-19-9-12(20)17-6-18-13(9)22;1-4-7(5-2)6-3/h6-8,10-11,14,21H,5H2,1-4H3,(H,24,25)(H,17,18,22);4-6H2,1-3H3/t8-,10-,11-,14-;/m0./s1 |
| InChIKey | NYSQQNZMXZNJJU-FQECALJDSA-N |
| Mol Weight | 563.61 g/mol |
| Molecular Formula | C22H38N5O8PS |
| Exact Mass | 563.217871 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LgAyPQ7kWF |
|---|---|
| Name | 9-[5-O-PIVALOYL-3-DEOXY-3-S-(O-METHYL-PHOSPHOROTHIOLATE)-BETA-D-RIBOFURANOSYL]-HYPOXANTHINE-TRIETHYLAMMONIUM-SALT;ISP-ME |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H38N5O8PS |
| InChI | InChI=1S/C16H23N4O8PS.C6H15N/c1-16(2,3)15(23)27-5-8-11(30-29(24,25)26-4)10(21)14(28-8)20-7-19-9-12(20)17-6-18-13(9)22;1-4-7(5-2)6-3/h6-8,10-11,14,21H,5H2,1-4H3,(H,24,25)(H,17,18,22);4-6H2,1-3H3/t8-,10-,11-,14-;/m0./s1 |
| InChIKey | NYSQQNZMXZNJJU-FQECALJDSA-N |
| Literature Reference Author | L.B.WEINSTEIN,D.J.EARNSHAW,R.COSSTICK,T.R.CECH |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,10341(1996) |
| Literature Reference DOI | 10.1021/ja9616903 |
| Solvent | CD3OD |
| Source File Reference | UWLU54327 |