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DI-(2-MES)-ADENOSINE_5',5''-P-(1),P-(4),BETA,GAMMA-METHYLENE-TETRAPHOSPHATE
SpectraBase Compound ID Gw6HjRhrwZR
InChI InChI=1S/C23H34N10O18P4S2/c1-56-22-28-16(24)10-18(30-22)32(5-26-10)20-14(36)12(34)8(48-20)3-46-54(42,43)50-52(38,39)7-53(40,41)51-55(44,45)47-4-9-13(35)15(37)21(49-9)33-6-27-11-17(25)29-23(57-2)31-19(11)33/h5-6,8-9,12-15,20-21,34-37H,3-4,7H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,24,28,30)(H2,25,29,31)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
InChIKey YYYKRVJGHANQFO-NAGRZYTCSA-N
Mol Weight 926.6 g/mol
Molecular Formula C23H34N10O18P4S2
Exact Mass 926.044445 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID An3FOdT0cEP
Name DI-(2-MES)-ADENOSINE_5',5''-P-(1),P-(4),BETA,GAMMA-METHYLENE-TETRAPHOSPHATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30N10O18P4S2
InChI InChI=1S/C23H34N10O18P4S2/c1-56-22-28-16(24)10-18(30-22)32(5-26-10)20-14(36)12(34)8(48-20)3-46-54(42,43)50-52(38,39)7-53(40,41)51-55(44,45)47-4-9-13(35)15(37)21(49-9)33-6-27-11-17(25)29-23(57-2)31-19(11)33/h5-6,8-9,12-15,20-21,34-37H,3-4,7H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,24,28,30)(H2,25,29,31)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
InChIKey YYYKRVJGHANQFO-NAGRZYTCSA-N
Literature Reference Author S.ALIAHU,H.M.BARR,J.CAMDEN,G.A.WEISMAN,B.FISCHER
Literature Reference Citation J.MED.CHEM.,53,2472(2010)
Literature Reference DOI 10.1021/jm901621h
Solvent D2O
Source File Reference UWMZ46415