| SpectraBase Compound ID | IK1sqcjWaSc |
|---|---|
| InChI | InChI=1S/C17H25ClN4O9S/c1-7(23)20-13-15(30-10(4)26)14(29-9(3)25)11(5-28-8(2)24)31-16(13)21-12(27)6-32-17(19)22-18/h11,13-16H,5-6H2,1-4H3,(H2,19,22)(H,20,23)(H,21,27)/t11-,13-,14-,15-,16-/m1/s1 |
| InChIKey | NUUDXIUNSVIQHT-JPIRQXTESA-N |
| Mol Weight | 496.92 g/mol |
| Molecular Formula | C17H25ClN4O9S |
| Exact Mass | 496.103077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vHiPJtcvth |
|---|---|
| Name | 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-N-(ISOTHIOURONIUM-ACETYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE-HYDROCHLORIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H25ClN4O9S |
| InChI | InChI=1S/C17H25ClN4O9S/c1-7(23)20-13-15(30-10(4)26)14(29-9(3)25)11(5-28-8(2)24)31-16(13)21-12(27)6-32-17(19)22-18/h11,13-16H,5-6H2,1-4H3,(H2,19,22)(H,20,23)(H,21,27)/t11-,13-,14-,15-,16-/m1/s1 |
| InChIKey | NUUDXIUNSVIQHT-JPIRQXTESA-N |
| Literature Reference Author | J.J.GARCIA-LOPEZ,F.SANTOYO-GONZALEZ,A.VARGAS-BERENGUEL,J.J.G IMENEZ-MARTINEZ |
| Literature Reference Citation | CHEM.EUR.J.,5,1775(1999) |
| Literature Reference DOI | 10.1002/(sici)1521-3765(19990604)5:6<1775::aid-chem1775>3.0.co;2-2 |
| Molecular Weight | 496.920 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU9697 |