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2'-Deoxyguanosin-5'-yl_phosphorodithioate_ditriethylammonium_salt

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2'-Deoxyguanosin-5'-yl_phosphorodithioate_ditriethylammonium_salt
SpectraBase Compound ID KnYc45Tkck9
InChI InChI=1S/C10H14N5O5PS2.2C6H15N/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18,22)23;2*1-4-7(5-2)6-3/h3-6,16H,1-2H2,(H2,18,22,23)(H3,11,13,14,17);2*4-6H2,1-3H3/t4-,5+,6+;;/m0../s1
InChIKey NBXBHCNTCUNSBC-FVALZTRZSA-N
Mol Weight 581.73 g/mol
Molecular Formula C22H44N7O5PS2
Exact Mass 581.258297 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFpBTWsAy4S
Name 2'-DEOXYGUANOSIN-5'-YL_PHOSPHORODITHIOATE_DITRIETHYLAMMONIUM_SALT
Compound Number 6C
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H44N7O5PS2
InChI InChI=1S/C10H14N5O5PS2.2C6H15N/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18,22)23;2*1-4-7(5-2)6-3/h3-6,16H,1-2H2,(H2,18,22,23)(H3,11,13,14,17);2*4-6H2,1-3H3/t4-,5+,6+;;/m0../s1
InChIKey NBXBHCNTCUNSBC-FVALZTRZSA-N
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 UWMZ26387