| SpectraBase Spectrum ID |
5ZefKCPsD5Q |
| Name |
beta-D-Glucopyranoside, 1-methyl-1H-benzimidazol-2-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.151886007 u |
| Formula |
C22H27N3O8S |
| InChI |
InChI=1S/C22H27N3O8S/c1-11(26)23-18-20(32-14(4)29)19(31-13(3)28)17(10-30-12(2)27)33-21(18)34-22-24-15-8-6-7-9-16(15)25(22)5/h6-9,17-21H,10H2,1-5H3,(H,23,26) |
| InChIKey |
WXJIHLODHFIABC-UHFFFAOYSA-N |
| Molecular Weight |
493.531 g/mol |
| SMILES |
N(C1C(SC2=NC=3C=CC=CC3N2C)OC(C(OC(=O)C)C1OC(=O)C)COC(=O)C)C(=O)C |
