| SpectraBase Compound ID | J5tslsMMH8v |
|---|---|
| InChI | InChI=1S/C15H23N3O8S/c1-6(19)18-11-13(25-9(4)22)12(24-8(3)21)10(5-23-7(2)20)26-14(11)27-15(16)17/h10-14H,5H2,1-4H3,(H3,16,17)(H,18,19)/t10-,11-,12-,13-,14?/m1/s1 |
| InChIKey | HKFFTLKKGVRASK-GNMOMJPPSA-N |
| Mol Weight | 405.42 g/mol |
| Molecular Formula | C15H23N3O8S |
| Exact Mass | 405.120586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MXDfdZduIo |
|---|---|
| Name | N-Acetyl-D-glucosamine, 1-deoxy-1-guanylthio |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.120585879 u |
| Formula | C15H23N3O8S |
| InChI | InChI=1S/C15H23N3O8S/c1-6(19)18-11-13(25-9(4)22)12(24-8(3)21)10(5-23-7(2)20)26-14(11)27-15(16)17/h10-14H,5H2,1-4H3,(H3,16,17)(H,18,19)/t10-,11-,12-,13-,14?/m1/s1 |
| InChIKey | HKFFTLKKGVRASK-GNMOMJPPSA-N |
| Molecular Weight | 405.422 g/mol |
| SMILES | [C@@]1([C@](OC([C@@]([C@]1(OC(=O)C)[H])(NC(=O)C)[H])SC(=N)N)(COC(=O)C)[H])(OC(C)=O)[H] |