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2-BROMO-9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-([(DIMETHYLAMINO)-METHYLIDENE]-AMINO)-9H-PURINE-3'-TRIETHYLAMMONIUM-PHOSPHONAT

View entire compound with spectra: 2 NMR

2-BROMO-9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-([(DIMETHYLAMINO)-METHYLIDENE]-AMINO)-9H-PURINE-3'-TRIETHYLAMMONIUM-PHOSPHONAT
SpectraBase Compound ID JBq1IgzVPWS
InChI InChI=1S/C34H36BrN6O7P.C6H15N/c1-40(2)20-37-31-30-32(39-33(35)38-31)41(21-36-30)29-18-27(48-49(42)43)28(47-29)19-46-34(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24;1-4-7(5-2)6-3/h5-17,20-21,27-29,49H,18-19H2,1-4H3,(H,42,43);4-6H2,1-3H3/b37-20+;/t27-,28+,29+;/m0./s1
InChIKey DCAYKFATHZIOQV-OMLUFOKBSA-N
Mol Weight 852.8 g/mol
Molecular Formula C40H51BrN7O7P
Exact Mass 851.277097 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtVI45QAvPo
Name 2-BROMO-9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-([(DIMETHYLAMINO)-METHYLIDENE]-AMINO)-9H-PURINE-3'-TRIETHYLAMMONIUM-PHOSPHONAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H51BrN7O7P
InChI InChI=1S/C34H36BrN6O7P.C6H15N/c1-40(2)20-37-31-30-32(39-33(35)38-31)41(21-36-30)29-18-27(48-49(42)43)28(47-29)19-46-34(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24;1-4-7(5-2)6-3/h5-17,20-21,27-29,49H,18-19H2,1-4H3,(H,42,43);4-6H2,1-3H3/b37-20+;/t27-,28+,29+;/m0./s1
InChIKey DCAYKFATHZIOQV-OMLUFOKBSA-N
Literature Reference Author F.SEELA,R.MERTENS,Z.KAZIMIERCZUK
Literature Reference Citation HELV.CHIM.ACTA,75,2298(1992)
Literature Reference DOI 10.1002/hlca.19920750716
Solvent DMSO-D6
Source File Reference UWCS7963