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N6-(S-(N-ACETYL)-HOMOCYSTEINYL)-METHYLADENOSINE-5'-PHOSPHATE
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

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 © 2016-2024 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