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2'-DEOXYADENOSIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT

View entire compound with spectra: 1 NMR

2'-DEOXYADENOSIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT
SpectraBase Compound ID 5T0WtX1ySVZ
InChI InChI=1S/C10H14N5O5PS.2N/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(20-7)2-19-21(17,18)22;;/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,22);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChIKey BFNVRJYXUMHSTH-OJSHLMAWSA-L
Mol Weight 373.284 g/mol
Molecular Formula C10H12N7O5PS
Exact Mass 373.035825 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQy3CKy3X7e
Name 2'-DEOXYADENOSIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12N7O5PS
InChI InChI=1S/C10H14N5O5PS.2N/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(20-7)2-19-21(17,18)22;;/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,22);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChIKey BFNVRJYXUMHSTH-OJSHLMAWSA-L
Literature Reference Author J.JANKOWSKA,A.SOBKOWSKA,J.CIESLAK,M.SOBKOWSKI,A.KRASZEWSKI,J .STAWINSKI,D.SHUGAR
Literature Reference Citation J.ORG.CHEM.,63,8150(1998)
Literature Reference DOI 10.1021/jo980491u
Solvent H2O:NAOD;PH=8
Source File Reference UWMZ26379