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SODIUM_(2,3-DIFLUOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

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SODIUM_(2,3-DIFLUOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID 5a56CiGmxt6
InChI InChI=1S/C25H27ClF2N2O9.Na/c1-12(31)30-20-17(32)9-25(24(36)37,38-11-14-3-2-4-16(27)19(14)28)39-22(20)21(34)18(33)10-29-23(35)13-5-7-15(26)8-6-13;/h2-8,17-18,20-22,32-34H,9-11H2,1H3,(H,29,35)(H,30,31)(H,36,37);/q;+1/p-1/t17-,18+,20+,21-,22+,25+;/m0./s1
InChIKey BUJIHQWREQGHTK-CUEFYDLDSA-M
Mol Weight 594.93 g/mol
Molecular Formula C25H26ClF2N2NaO9
Exact Mass 594.119259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqThn0O2D7L
Name SODIUM_(2,3-DIFLUOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 13F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26ClF2N2NaO9
InChI InChI=1S/C25H27ClF2N2O9.Na/c1-12(31)30-20-17(32)9-25(24(36)37,38-11-14-3-2-4-16(27)19(14)28)39-22(20)21(34)18(33)10-29-23(35)13-5-7-15(26)8-6-13;/h2-8,17-18,20-22,32-34H,9-11H2,1H3,(H,29,35)(H,30,31)(H,36,37);/q;+1/p-1/t17-,18+,20+,21-,22+,25+;/m0./s1
InChIKey BUJIHQWREQGHTK-CUEFYDLDSA-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 594.929 g/mol
Solvent CD3OD
Source File Reference UWMZ46767