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SODIUM_(PENTAFLUOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

View entire compound with spectra: 1 NMR

SODIUM_(PENTAFLUOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID ChaaMks6ghi
InChI InChI=1S/C25H24ClF5N2O9.Na/c1-9(34)33-20-13(35)6-25(24(39)40,41-8-12-15(27)17(29)19(31)18(30)16(12)28)42-22(20)21(37)14(36)7-32-23(38)10-2-4-11(26)5-3-10;/h2-5,13-14,20-22,35-37H,6-8H2,1H3,(H,32,38)(H,33,34)(H,39,40);/q;+1/p-1/t13-,14+,20+,21-,22+,25+;/m0./s1
InChIKey YLEWMFZCDABEJQ-YMIMNWNHSA-M
Mol Weight 648.9 g/mol
Molecular Formula C25H23ClF5N2NaO9
Exact Mass 648.090993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qEWZWSUdZk
Name SODIUM_(PENTAFLUOROBENZYL_5-ACETAMIDO-9-(4-CHLOROBENZAMIDO)-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 13C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23ClF5N2NaO9
InChI InChI=1S/C25H24ClF5N2O9.Na/c1-9(34)33-20-13(35)6-25(24(39)40,41-8-12-15(27)17(29)19(31)18(30)16(12)28)42-22(20)21(37)14(36)7-32-23(38)10-2-4-11(26)5-3-10;/h2-5,13-14,20-22,35-37H,6-8H2,1H3,(H,32,38)(H,33,34)(H,39,40);/q;+1/p-1/t13-,14+,20+,21-,22+,25+;/m0./s1
InChIKey YLEWMFZCDABEJQ-YMIMNWNHSA-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 648.900 g/mol
Solvent D2O
Source File Reference UWMZ46764