![(Z)-SODIUM-[2'-HYDROXYETHYL-2-ACETAMIDO-2,3,5-TRIDEOXY-6-PHOSPHORYL-BETA-D-GLYCERO-HEX-3,5-DIENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE](/api/spectrum/K6CIERWkqmj/structure.png?h=300&w=458 "(Z)-SODIUM-[2'-HYDROXYETHYL-2-ACETAMIDO-2,3,5-TRIDEOXY-6-PHOSPHORYL-BETA-D-GLYCERO-HEX-3,5-DIENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE")
| SpectraBase Compound ID | Cq3VlXgRxd9 |
|---|---|
| InChI | InChI=1S/C19H27N4O12P.Na/c1-10(25)21-12-3-2-11(34-18(12)31-7-6-24)8-32-36(29,30)33-9-13-15(26)16(27)17(35-13)23-5-4-14(20)22-19(23)28;/h2-5,8,12-13,15-18,24,26-27H,6-7,9H2,1H3,(H,21,25)(H,29,30)(H2,20,22,28);/q;+1/p-1/b11-8-;/t12-,13-,15-,16-,17-,18-;/m1./s1 |
| InChIKey | YQDDWJVGTDAPRO-VKFHUNGKSA-M |
| Mol Weight | 556.4 g/mol |
| Molecular Formula | C19H26N4NaO12P |
| Exact Mass | 556.118254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6CIERWkqmj |
|---|---|
| Name | (Z)-SODIUM-[2'-HYDROXYETHYL-2-ACETAMIDO-2,3,5-TRIDEOXY-6-PHOSPHORYL-BETA-D-GLYCERO-HEX-3,5-DIENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H26N4NaO12P |
| InChI | InChI=1S/C19H27N4O12P.Na/c1-10(25)21-12-3-2-11(34-18(12)31-7-6-24)8-32-36(29,30)33-9-13-15(26)16(27)17(35-13)23-5-4-14(20)22-19(23)28;/h2-5,8,12-13,15-18,24,26-27H,6-7,9H2,1H3,(H,21,25)(H,29,30)(H2,20,22,28);/q;+1/p-1/b11-8-;/t12-,13-,15-,16-,17-,18-;/m1./s1 |
| InChIKey | YQDDWJVGTDAPRO-VKFHUNGKSA-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 | 556.399 g/mol |
| Sample ID | 47618 |
| Solvent | D2O |