![#2;2-[2-[2-[2-(PHOSPHONATO)-ETHOXY]-ETHOXY]-ETHYL-6-O-(2-ACETAMIDO-2-DEOXY-5A-CARBA-ALPHA-D-MANNOPYRANOSYL-PHOSPHONATO)-2-ACETAMIDO-2-DEOXY-5A-CARBA-ALPHA-D-MA](/api/spectrum/JEZasqKXFDH/structure.png?h=300&w=458 "#2;2-[2-[2-[2-(PHOSPHONATO)-ETHOXY]-ETHOXY]-ETHYL-6-O-(2-ACETAMIDO-2-DEOXY-5A-CARBA-ALPHA-D-MANNOPYRANOSYL-PHOSPHONATO)-2-ACETAMIDO-2-DEOXY-5A-CARBA-ALPHA-D-MA")
| SpectraBase Compound ID | DRZrQYV8IH4 |
|---|---|
| InChI | InChI=1S/C26H50N2O19P2.3Na/c1-15(30)27-21-19(44-9-7-42-5-3-41-4-6-43-8-10-45-48(36,37)38)12-18(24(33)25(21)34)14-46-49(39,40)47-20-11-17(13-29)23(32)26(35)22(20)28-16(2)31;;;/h17-26,29,32-35H,3-14H2,1-2H3,(H,27,30)(H,28,31)(H,39,40)(H2,36,37,38);;;/q;3*+1/p-3/t17-,18-,19+,20+,21-,22-,23-,24-,25-,26-;;;/m0.../s1 |
| InChIKey | OTTJAZMZYQVQFN-RIQUKRAGSA-K |
| Mol Weight | 822.57383184 g/mol |
| Molecular Formula | C26H47N2Na3O19P2 |
| Exact Mass | 822.194134 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEZasqKXFDH |
|---|---|
| Name | #2;2-[2-[2-[2-(PHOSPHONATO)-ETHOXY]-ETHOXY]-ETHYL-6-O-(2-ACETAMIDO-2-DEOXY-5A-CARBA-ALPHA-D-MANNOPYRANOSYL-PHOSPHONATO)-2-ACETAMIDO-2-DEOXY-5A-CARBA-ALPHA-D-MA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H47N2Na3O19P2 |
| InChI | InChI=1S/C26H50N2O19P2.3Na/c1-15(30)27-21-19(44-9-7-42-5-3-41-4-6-43-8-10-45-48(36,37)38)12-18(24(33)25(21)34)14-46-49(39,40)47-20-11-17(13-29)23(32)26(35)22(20)28-16(2)31;;;/h17-26,29,32-35H,3-14H2,1-2H3,(H,27,30)(H,28,31)(H,39,40)(H2,36,37,38);;;/q;3*+1/p-3/t17-,18-,19+,20+,21-,22-,23-,24-,25-,26-;;;/m0.../s1 |
| InChIKey | OTTJAZMZYQVQFN-RIQUKRAGSA-K |
| Literature Reference Author | D.RAMELLA,L.POLITO,S.MAZZINI,S.RONCHI,L.SCAGLIONI,M.MARELLI, L.LAY |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,5915(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402701 |
| Molecular Weight | 822.578 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU85374 |