| SpectraBase Compound ID | 8odq3LwAjTi |
|---|---|
| InChI | InChI=1S/C17H25N6O10PS/c1-8(24)22-9(17(27)28)2-3-35-7-21-14-11-15(19-5-18-14)23(6-20-11)16-13(26)12(25)10(33-16)4-32-34(29,30)31/h5-6,9-10,12-13,16,25-26H,2-4,7H2,1H3,(H,22,24)(H,27,28)(H,18,19,21)(H2,29,30,31)/p-2/t9-,10+,12+,13+,16+/m1/s1 |
| InChIKey | BUWIUPFGMKNEML-SSHPZETRSA-L |
| Mol Weight | 534.44 g/mol |
| Molecular Formula | C17H23N6O10PS |
| Exact Mass | 534.093399 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ESXeSQDSbn |
|---|---|
| Name | N6-(S-(N-ACETYL)-HOMOCYSTEINYL)-METHYLADENOSINE-5'-PHOSPHATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H23N6O10PS |
| InChI | InChI=1S/C17H25N6O10PS/c1-8(24)22-9(17(27)28)2-3-35-7-21-14-11-15(19-5-18-14)23(6-20-11)16-13(26)12(25)10(33-16)4-32-34(29,30)31/h5-6,9-10,12-13,16,25-26H,2-4,7H2,1H3,(H,22,24)(H,27,28)(H,18,19,21)(H2,29,30,31)/p-2/t9-,10+,12+,13+,16+/m1/s1 |
| InChIKey | BUWIUPFGMKNEML-SSHPZETRSA-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 | UWSI23362 |