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

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SODIUM_((2,3-DIFLUOROBENZYL)-5-CHLOROACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID ANEvwS164hm
InChI InChI=1S/C25H26Cl2F2N2O9.Na/c26-9-18(34)31-20-16(32)8-25(24(37)38,39-11-13-2-1-3-15(28)19(13)29)40-22(20)21(35)17(33)10-30-23(36)12-4-6-14(27)7-5-12;/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 JPHKVUJYVHGLIV-ZBHGDPRWSA-M
Mol Weight 629.37 g/mol
Molecular Formula C25H25Cl2F2N2NaO9
Exact Mass 628.080286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfT78YJKvcU
Name SODIUM_((2,3-DIFLUOROBENZYL)-5-CHLOROACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25Cl2F2N2NaO9
InChI InChI=1S/C25H26Cl2F2N2O9.Na/c26-9-18(34)31-20-16(32)8-25(24(37)38,39-11-13-2-1-3-15(28)19(13)29)40-22(20)21(35)17(33)10-30-23(36)12-4-6-14(27)7-5-12;/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 JPHKVUJYVHGLIV-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 629.374 g/mol
Solvent CD3OD
Source File Reference UWMZ46785