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SODIUM_((2,3-DIFLUOROBENZYL)-5-METHOXYACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

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SODIUM_((2,3-DIFLUOROBENZYL)-5-METHOXYACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID GKN6yy93YDQ
InChI InChI=1S/C26H29ClF2N2O10.Na/c1-39-12-19(34)31-21-17(32)9-26(25(37)38,40-11-14-3-2-4-16(28)20(14)29)41-23(21)22(35)18(33)10-30-24(36)13-5-7-15(27)8-6-13;/h2-8,17-18,21-23,32-33,35H,9-12H2,1H3,(H,30,36)(H,31,34)(H,37,38);/q;+1/p-1/t17-,18+,21+,22-,23+,26+;/m0./s1
InChIKey VJRVAQNNKVCBSA-UTCRMSHQSA-M
Mol Weight 624.95 g/mol
Molecular Formula C26H28ClF2N2NaO10
Exact Mass 624.129823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yO9I64Vndf
Name SODIUM_((2,3-DIFLUOROBENZYL)-5-METHOXYACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 19E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28ClF2N2NaO10
InChI InChI=1S/C26H29ClF2N2O10.Na/c1-39-12-19(34)31-21-17(32)9-26(25(37)38,40-11-14-3-2-4-16(28)20(14)29)41-23(21)22(35)18(33)10-30-24(36)13-5-7-15(27)8-6-13;/h2-8,17-18,21-23,32-33,35H,9-12H2,1H3,(H,30,36)(H,31,34)(H,37,38);/q;+1/p-1/t17-,18+,21+,22-,23+,26+;/m0./s1
InChIKey VJRVAQNNKVCBSA-UTCRMSHQSA-M
Literature Reference Author S.MESCH,D.MOSER,D.S.STRASSER,A.KELM,B.CUTTING,G.ROSSATO,A.VE DANI,H.KOLIWER-BRAND
Literature Reference Citation J.MED.CHEM.,53,1597(2010)
Literature Reference DOI 10.1021/jm901517k
Molecular Weight 624.955 g/mol
Solvent D2O
Source File Reference UWMZ46788