John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CdnmJIGBvlk SpectraBase Spectrum ID=1jqBBtWwOBO

(accessed ).
(E)-SODIUM-[PHENYL-(6R,S)-2-ACETAMIDO-2,3,5-TRIDEOXY-6-PHOSPHORYL-BETA-D-GLYCERO-HEX-3,5-DIENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE
SpectraBase Compound ID CdnmJIGBvlk
InChI InChI=1S/C23H27N4O11P.Na/c1-13(28)25-16-8-7-15(37-22(16)36-14-5-3-2-4-6-14)11-34-39(32,33)35-12-17-19(29)20(30)21(38-17)27-10-9-18(24)26-23(27)31;/h2-11,16-17,19-22,29-30H,12H2,1H3,(H,25,28)(H,32,33)(H2,24,26,31);/q;+1/p-1/b15-11+;/t16-,17-,19-,20-,21-,22-;/m1./s1
InChIKey LLYOFYWQISECQX-WQKJMINVSA-M
Mol Weight 588.44 g/mol
Molecular Formula C23H26N4NaO11P
Exact Mass 588.123341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jqBBtWwOBO
Name (E)-SODIUM-[PHENYL-(6R,S)-2-ACETAMIDO-2,3,5-TRIDEOXY-6-PHOSPHORYL-BETA-D-GLYCERO-HEX-3,5-DIENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE
Compound Number 2A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26N4NaO11P
InChI InChI=1S/C23H27N4O11P.Na/c1-13(28)25-16-8-7-15(37-22(16)36-14-5-3-2-4-6-14)11-34-39(32,33)35-12-17-19(29)20(30)21(38-17)27-10-9-18(24)26-23(27)31;/h2-11,16-17,19-22,29-30H,12H2,1H3,(H,25,28)(H,32,33)(H2,24,26,31);/q;+1/p-1/b15-11+;/t16-,17-,19-,20-,21-,22-;/m1./s1
InChIKey LLYOFYWQISECQX-WQKJMINVSA-M
Literature Reference Author R.SCHWOERER,R.R.SCHMIDT
Literature Reference Citation J.AM.CHEM.SOC.,124,1632(2002)
Literature Reference DOI 10.1021/ja017370n
Molecular Weight 588.443 g/mol
Sample ID 47617
Solvent D2O
SpectraBase Batch ID CGFsK4NYwRu