| SpectraBase Compound ID | LUD6O6Jyixc |
|---|---|
| InChI | InChI=1S/C22H45N2O10P/c1-2-3-4-5-6-7-8-9-10-11-16(25)14-18(26)24-19-21(28)20(27)17(34-22(19)29)15-33-35(30,31)32-13-12-23/h16-17,19-22,25,27-29H,2-15,23H2,1H3,(H,24,26)(H,30,31)/t16?,17-,19-,20-,21-,22-/m1/s1 |
| InChIKey | KQVUIMHHHGQFLY-ULHDMOJPSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C22H45N2O10P |
| Exact Mass | 528.281183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmH8ij24uig |
|---|---|
| Name | 6-o-(2-Aminoethyl)phosphono-2-(3-hydroxymyristoylamido)-2-deoxy-beta-D-glucopyranose |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 528.281182645 u |
| Formula | C22H45N2O10P |
| InChI | InChI=1S/C22H45N2O10P/c1-2-3-4-5-6-7-8-9-10-11-16(25)14-18(26)24-19-21(28)20(27)17(34-22(19)29)15-33-35(30,31)32-13-12-23/h16-17,19-22,25,27-29H,2-15,23H2,1H3,(H,24,26)(H,30,31)/t16?,17-,19-,20-,21-,22-/m1/s1 |
| InChIKey | KQVUIMHHHGQFLY-ULHDMOJPSA-N |
| Molecular Weight | 528.580 g/mol |
| SMILES | O[C@@]1(O[C@](COP(=O)(OCCN)O)([C@]([C@@]([C@]1(NC(CC(O)CCCCCCCCCCC)=O)[H])(O)[H])(O)[H])[H])[H] |