![(Z)-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](/api/spectrum/86Vat9yAVYV/structure.png?h=300&w=458 "(Z)-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 | 8ti6aJtgxPL |
|---|---|
| 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-SJIGANKISA-M |
| Mol Weight | 588.44 g/mol |
| Molecular Formula | C23H26N4NaO11P |
| Exact Mass | 588.123339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86Vat9yAVYV |
|---|---|
| Name | (Z)-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 © 2016-2024 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-SJIGANKISA-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 | 47616 |
| Solvent | D2O |