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SODIUM_((2,3-DIFLUOROBENZYL)-5-FLUOROACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID 6LoE5QsfSAq
InChI InChI=1S/C25H26ClF3N2O9.Na/c26-14-6-4-12(5-7-14)23(36)30-10-17(33)21(35)22-20(31-18(34)9-27)16(32)8-25(40-22,24(37)38)39-11-13-2-1-3-15(28)19(13)29;/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38);/q;+1/p-1/t16-,17+,20+,21-,22+,25+;/m0./s1
InChIKey GKUUIJYNUIUVCX-ZBHGDPRWSA-M
Mol Weight 612.92 g/mol
Molecular Formula C25H25ClF3N2NaO9
Exact Mass 612.109837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KdWlnpl64P
Name SODIUM_((2,3-DIFLUOROBENZYL)-5-FLUOROACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25ClF3N2NaO9
InChI InChI=1S/C25H26ClF3N2O9.Na/c26-14-6-4-12(5-7-14)23(36)30-10-17(33)21(35)22-20(31-18(34)9-27)16(32)8-25(40-22,24(37)38)39-11-13-2-1-3-15(28)19(13)29;/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38);/q;+1/p-1/t16-,17+,20+,21-,22+,25+;/m0./s1
InChIKey GKUUIJYNUIUVCX-ZBHGDPRWSA-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 612.919 g/mol
Solvent CDCl3
Source File Reference UWMZ46784