Salacinol
[(2S,3S)-4-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-1,3-dihydroxybutan-2-yl] sulfate
Also Known As: SALACINOL|Neosalacinol|SALACINOLEXTRACT|J1.366.106E|[(2S,3S)-4-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-1,3-dihydroxybutan-2-yl] sulfate|(2S,3S)-4-((1S,2R,3S,4S)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-1H-THIOPHEN-1-IUM-1-YL)-1,3-DIHYDROXYBUTAN-2-YL SULFATE|1,4-Dideoxy-1,4-[(S)-[(2S,3S)-2,4-dihydroxy-3-(sulfooxy)butyl]episulfoniumylidene]-D-arabinitol Inner Salt|((2S,3S)-4-((2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl)-1,3-dihydroxybutan-2-yl) sulfate|(1S,2R,3S,4S)-1-[(2S,3S)- 2,4-Dihydroxy-3-(sulfooxy)butyl]tetrahydro-3,4-dihydroxy-2-(hydroxymethyl)thiophenium inner salt|(1S,2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-(sulfooxy)butyl]tetrahydro-3,4-dihydroxy-2-(hydroxymethyl)thiophenium Inner Salt|(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl sulfate|(2R,3S,4S)-1-[(2S,3S)-2,4-DIHYDROXY-3-(SULFONATOOXY)BUTYL]-3,4-DIHYDROXY-2-(HYDROXYMETHYL)THIOLAN-1-IUM|(2S,3S)-4-((1S,2R,3S,4S)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-1H-THIOPHEN-1-IUM-1-YL)-1,3-DIHYDROXYBUTAN-2-YLSULFATE|[(1S,2S)-1-(Hydroxymethyl)-2-hydroxy-3-[[(2R)-2alpha-(hydroxymethyl)-3beta,4alpha-dihydroxytetrahydrothiophene-1-ium]-1-yl]propylsulfate]anion|[4-[(2R)-2alpha-(Hydroxymethyl)-3beta,4alpha-dihydroxy-1-thioniacyclopentane-1-yl]-4-deoxy-D-erythritol 2-sulfate]anion|[Sulfuric acid [(1S,2S)-1-(hydroxymethyl)-2-hydroxy-3-(4-O-thionia-1-deoxy-D-arabino-pentofuranose-4-O-yl)propyl]]anion|1,4-dideoxy-1,4-{(S)-[(2S,3S)-2,4-dihydroxy-3-(sulfooxy)butyl]episulfoniumylidene}-D-arabinitol
| Molecular Formula | C9H18O9S2 |
|---|---|
| Molecular Weight | 334.0392 g/mol |
| LogP | -4.1004 |
| Topological Polar Surface Area | 167.58 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0392 |
| Monoisotopic Mass | 334.0392 |
| Heavy Atoms | 20 |
| Complexity | 400.2224 |
Chemical Identifiers
| CAS Number | 200399-47-9 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H](CO)OS(=O)(=O)[O-])O)CO)O)O |
Product Overview
Salacinol (CAS 200399-47-9), with molecular formula C9H18O9S2 and molecular weight 334.0392 g/mol. IUPAC: [(2S,3S)-4-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-1,3-dihydroxybutan-2-yl] sulfate.
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