![#1AH;TRISODIUM-[PHENYL-(6R,S)-2-ACETAMIDO-3-O-BENZOYL-2,4-DIDEOXY-6-PHOSPHORYL-BETA-L-THREO-HEX-4-ENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE;HIGHER-DIASTER](/api/spectrum/1qd7Yz2sc3/structure.png?h=300&w=458 "#1AH;TRISODIUM-[PHENYL-(6R,S)-2-ACETAMIDO-3-O-BENZOYL-2,4-DIDEOXY-6-PHOSPHORYL-BETA-L-THREO-HEX-4-ENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE;HIGHER-DIASTER")
| SpectraBase Compound ID | JwhWW728du3 |
|---|---|
| InChI | InChI=1S/C23H30N4O15P2.3Na/c1-11(28)25-17-13(29)9-14(41-21(17)39-12-5-3-2-4-6-12)22(43(33,34)35)42-44(36,37)38-10-15-18(30)19(31)20(40-15)27-8-7-16(24)26-23(27)32;;;/h2-9,13,15,17-22,29-31H,10H2,1H3,(H,25,28)(H,36,37)(H2,24,26,32)(H2,33,34,35);;;/q;3*+1/p-3/t13-,15-,17+,18-,19-,20-,21+,22-;;;/m0.../s1 |
| InChIKey | AUKRTEJKPBDVMA-VPUZUYRWSA-K |
| Mol Weight | 730.39883184 g/mol |
| Molecular Formula | C23H27N4Na3O15P2 |
| Exact Mass | 730.064123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qd7Yz2sc3 |
|---|---|
| Name | #1AL;TRISODIUM-[PHENYL-(6R,S)-2-ACETAMIDO-3-O-BENZOYL-2,4-DIDEOXY-6-PHOSPHORYL-BETA-L-THREO-HEX-4-ENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE;LOWER-DIASTERE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H27N4Na3O15P2 |
| InChI | InChI=1S/C23H30N4O15P2.3Na/c1-11(28)25-17-13(29)9-14(41-21(17)39-12-5-3-2-4-6-12)22(43(33,34)35)42-44(36,37)38-10-15-18(30)19(31)20(40-15)27-8-7-16(24)26-23(27)32;;;/h2-9,13,15,17-22,29-31H,10H2,1H3,(H,25,28)(H,36,37)(H2,24,26,32)(H2,33,34,35);;;/q;3*+1/p-3/t13-,15-,17+,18-,19-,20-,21+,22-;;;/m0.../s1 |
| InChIKey | AUKRTEJKPBDVMA-VPUZUYRWSA-K |
| 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 | 730.402 g/mol |
| Sample ID | 47614 |
| Solvent | D2O |