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

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SODIUM_((2,3-DIFLUOROBENZYL)-5-METHYLSULFONAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID 61J1YbAdF4j
InChI InChI=1S/C24H27ClF2N2O10S.Na/c1-40(36,37)29-19-16(30)9-24(23(34)35,38-11-13-3-2-4-15(26)18(13)27)39-21(19)20(32)17(31)10-28-22(33)12-5-7-14(25)8-6-12;/h2-8,16-17,19-21,29-32H,9-11H2,1H3,(H,28,33)(H,34,35);/q;+1/p-1/t16-,17+,19+,20-,21+,24+;/m0./s1
InChIKey ZVQONGLSUNQOPH-MBSMGJJXSA-M
Mol Weight 630.98 g/mol
Molecular Formula C24H26ClF2N2NaO10S
Exact Mass 630.086245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80JLP4J0yt0
Name SODIUM_((2,3-DIFLUOROBENZYL)-5-METHYLSULFONAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 19D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26ClF2N2NaO10S
InChI InChI=1S/C24H27ClF2N2O10S.Na/c1-40(36,37)29-19-16(30)9-24(23(34)35,38-11-13-3-2-4-15(26)18(13)27)39-21(19)20(32)17(31)10-28-22(33)12-5-7-14(25)8-6-12;/h2-8,16-17,19-21,29-32H,9-11H2,1H3,(H,28,33)(H,34,35);/q;+1/p-1/t16-,17+,19+,20-,21+,24+;/m0./s1
InChIKey ZVQONGLSUNQOPH-MBSMGJJXSA-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 630.977 g/mol
Solvent D2O
Source File Reference UWMZ46787