| SpectraBase Compound ID | 62yWHGU3vML |
|---|---|
| InChI | InChI=1S/C17H25N6O9PS/c1-9(24)22-10(17(26)27)2-3-34-8-21-15-14-16(19-6-18-15)23(7-20-14)13-4-11(25)12(32-13)5-31-33(28,29)30/h6-7,10-13,25H,2-5,8H2,1H3,(H,22,24)(H,26,27)(H,18,19,21)(H2,28,29,30)/p-2/t10-,11+,12-,13-/m1/s1 |
| InChIKey | CLSXGWWNZMGROH-YVECIDJPSA-L |
| Mol Weight | 518.44 g/mol |
| Molecular Formula | C17H23N6O9PS |
| Exact Mass | 518.098485 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwSXDeQuOTI |
|---|---|
| Name | N6-(S-(N-ACETYL)-HOMOCYSTEINYL)-METHYL-2'-DEOXYADENOSINE-5'-PHOSPHATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H23N6O9PS |
| InChI | InChI=1S/C17H25N6O9PS/c1-9(24)22-10(17(26)27)2-3-34-8-21-15-14-16(19-6-18-15)23(7-20-14)13-4-11(25)12(32-13)5-31-33(28,29)30/h6-7,10-13,25H,2-5,8H2,1H3,(H,22,24)(H,26,27)(H,18,19,21)(H2,28,29,30)/p-2/t10-,11+,12-,13-/m1/s1 |
| InChIKey | CLSXGWWNZMGROH-YVECIDJPSA-L |
| Literature Reference Author | D.C.WAHNON,V.K.SHIER,S.J.BENKOVIC |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,976(2001) |
| Literature Reference DOI | 10.1021/ja003285o |
| Solvent | D2O |
| Source File Reference | UWSI23363 |