| SpectraBase Spectrum ID |
76pBlUq4d5s |
| Name |
Methyl 2,3,4-tri-o-acetyl-1-deoxy-1-thioureido-beta-D-glucopyranuronate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.088951397 u |
| Formula |
C14H20N2O9S |
| InChI |
InChI=1S/C14H20N2O9S/c1-5(17)22-8-9(23-6(2)18)11(13(20)21-4)25-12(16-14(15)26)10(8)24-7(3)19/h8-12H,1-4H3,(H3,15,16,26) |
| InChIKey |
HVYDGHIQTSRPOW-UHFFFAOYSA-N |
| Molecular Weight |
392.379 g/mol |
| SMILES |
C1(OC(C)=O)C(OC(C(C1OC(C)=O)OC(C)=O)NC(N)=S)C(OC)=O |
