| SpectraBase Compound ID | 3qvRFiplHTX |
|---|---|
| InChI | InChI=1S/C23H32N4O13P2.3Li/c28-17-13-21(39-18(17)15-38-42(35,36)40-41(32,33)34)27-12-10-19(26-22(27)30)25-20(29)9-5-2-6-11-24-23(31)37-14-16-7-3-1-4-8-16;;;/h1,3-4,7-8,10,12,17-18,21,28H,2,5-6,9,11,13-15H2,(H,24,31)(H,35,36)(H2,32,33,34)(H,25,26,29,30);;;/q;3*+1/p-3/t17-,18+,21+;;;/m0.../s1 |
| InChIKey | SODHCIJLZXMCGK-WWFIKCDUSA-K |
| Mol Weight | 652.27 g/mol |
| Molecular Formula | C23H29Li3N4O13P2 |
| Exact Mass | 652.168646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXW5NQczoim |
|---|---|
| Name | (6''-BENZYLOXYCARBONYLAMINOHEXANOYL)-2'-DEOXY-N-(4)-CYTIDINE_5'-TRILITHIUMDIPHOSPHATE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H29Li3N4O13P2 |
| InChI | InChI=1S/C23H32N4O13P2.3Li/c28-17-13-21(39-18(17)15-38-42(35,36)40-41(32,33)34)27-12-10-19(26-22(27)30)25-20(29)9-5-2-6-11-24-23(31)37-14-16-7-3-1-4-8-16;;;/h1,3-4,7-8,10,12,17-18,21,28H,2,5-6,9,11,13-15H2,(H,24,31)(H,35,36)(H2,32,33,34)(H,25,26,29,30);;;/q;3*+1/p-3/t17-,18+,21+;;;/m0.../s1 |
| InChIKey | SODHCIJLZXMCGK-WWFIKCDUSA-K |
| Literature Reference Author | A.NAUNDORF,W.KLAFFKE |
| Literature Reference Citation | CARBOHYDR.RES.,318,38(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00074-9 |
| Molecular Weight | 652.273 g/mol |
| Solvent | D2O |