Glucocleomin
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-3-methyl-N-sulfooxypentanimidothioate
Also Known As: Glucocleomin|2-Hydroxy-2-methylbutyl glucosinolate|1-S-[(3S)-3-Hydroxy-3-methyl-N-(sulfooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose|[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-3-methyl-N-sulfooxypentanimidothioate|[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (3S)-3-hydroxy-3-methyl-N-sulfooxy-pentanimidothioate
| Molecular Formula | C12H23NO10S2 |
|---|---|
| Molecular Weight | 405.07632 g/mol |
| LogP | -1.7965 |
| Topological Polar Surface Area | 186.34 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.07632 |
| Monoisotopic Mass | 405.07632 |
| Heavy Atoms | 25 |
| Complexity | 564.24316 |
Chemical Identifiers
| CAS Number | 36286-64-3 |
|---|---|
| SMILES | CC[C@@](C)(CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
Product Overview
Glucocleomin (CAS 36286-64-3), with molecular formula C12H23NO10S2 and molecular weight 405.07632 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-3-methyl-N-sulfooxypentanimidothioate.
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