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

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SODIUM_((2,3-DIFLUOROBENZYL)-5-CYCLOPROPYLAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID ChGBGUt4IHk
InChI InChI=1S/C27H29ClF2N2O9.Na/c28-16-8-6-13(7-9-16)24(36)31-11-19(34)22(35)23-21(32-25(37)14-4-5-14)18(33)10-27(41-23,26(38)39)40-12-15-2-1-3-17(29)20(15)30;/h1-3,6-9,14,18-19,21-23,33-35H,4-5,10-12H2,(H,31,36)(H,32,37)(H,38,39);/q;+1/p-1/t18-,19+,21+,22-,23+,27+;/m0./s1
InChIKey BMPBWCNISCESJZ-YADDBFMESA-M
Mol Weight 620.97 g/mol
Molecular Formula C27H28ClF2N2NaO9
Exact Mass 620.134909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID sj4NxZRLvD
Name SODIUM_((2,3-DIFLUOROBENZYL)-5-CYCLOPROPYLAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 19F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28ClF2N2NaO9
InChI InChI=1S/C27H29ClF2N2O9.Na/c28-16-8-6-13(7-9-16)24(36)31-11-19(34)22(35)23-21(32-25(37)14-4-5-14)18(33)10-27(41-23,26(38)39)40-12-15-2-1-3-17(29)20(15)30;/h1-3,6-9,14,18-19,21-23,33-35H,4-5,10-12H2,(H,31,36)(H,32,37)(H,38,39);/q;+1/p-1/t18-,19+,21+,22-,23+,27+;/m0./s1
InChIKey BMPBWCNISCESJZ-YADDBFMESA-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 620.967 g/mol
Solvent CDCl3
Source File Reference UWMZ46789