| SpectraBase Spectrum ID |
1LyVmhtOZ5C |
| Name |
Asparagine, N-(2-acetamido-2-deoxy-.beta.-D-glucopyranosyl)-N2-(trifluoroacetyl)-, ethyl ester, 3',4',6'-triacetate, L- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
585.178157895 u |
| Formula |
C22H30F3N3O12 |
| InChI |
InChI=1S/C22H30F3N3O12/c1-6-36-20(34)13(27-21(35)22(23,24)25)7-15(33)28-19-16(26-9(2)29)18(39-12(5)32)17(38-11(4)31)14(40-19)8-37-10(3)30/h13-14,16-19H,6-8H2,1-5H3,(H,26,29)(H,27,35)(H,28,33) |
| InChIKey |
MMVXDBXHWCBCEQ-UHFFFAOYSA-N |
| Molecular Weight |
585.486 g/mol |
| SMILES |
C(N[C@@]1([C@@](OC(C)=O)([C@](OC(C)=O)([C@](O[C@]1(NC(CC(NC(C(F)(F)F)=O)C(OCC)=O)=O)[H])(COC(C)=O)[H])[H])[H])[H])(C)=O |
