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GUANOSINE-3',5'-CYCLIC-[S-(P)]-[4-[N,N-BIS-(CARBOXYMETHYL)-CARBAMOYL]-2-NITROPHENYL]-METHYL-PHOSPHONATE
SpectraBase Compound ID BWU5KDqzgTA
InChI InChI=1S/C22H22N7O14P/c23-22-25-18-15(19(35)26-22)24-8-28(18)21-16(34)17-12(42-21)7-41-44(39,43-17)40-6-10-2-1-9(3-11(10)29(37)38)20(36)27(4-13(30)31)5-14(32)33/h1-3,8,12,16-17,21,34H,4-7H2,(H,30,31)(H,32,33)(H3,23,25,26,35)/p-2/t12-,16-,17-,21-,44-/m0/s1
InChIKey AONRJSYJLODJBF-DEHOUCTJSA-L
Mol Weight 637.41 g/mol
Molecular Formula C22H20N7O14P
Exact Mass 637.080585 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CONmaVFd035
Name GUANOSINE-3',5'-CYCLIC-[S-(P)]-[4-[N,N-BIS-(CARBOXYMETHYL)-CARBAMOYL]-2-NITROPHENYL]-METHYL-PHOSPHONATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N7O14P
InChI InChI=1S/C22H22N7O14P/c23-22-25-18-15(19(35)26-22)24-8-28(18)21-16(34)17-12(42-21)7-41-44(39,43-17)40-6-10-2-1-9(3-11(10)29(37)38)20(36)27(4-13(30)31)5-14(32)33/h1-3,8,12,16-17,21,34H,4-7H2,(H,30,31)(H,32,33)(H3,23,25,26,35)/p-2/t12-,16-,17-,21-,44-/m0/s1
InChIKey AONRJSYJLODJBF-DEHOUCTJSA-L
Literature Reference Author L.WANG,J.E.T.CORRIE,J.F.WOOTTON
Literature Reference Citation J.ORG.CHEM.,67,3474(2002)
Literature Reference DOI 10.1021/jo020040g
Solvent D2O
Source File Reference UWMS24806