Account (((2-(4-Hydroxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid
- Catalog No. :
- ACGBPL878
- CAS No. :
- 83327-20-2
- Molecular Formula :
- C16H20N2O10S2
- Molecular Weight :
- 464.47
IUPAC Name:(((2-(4-Hydroxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid
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Product Information
| Product Name | (((2-(4-Hydroxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid |
|---|---|
| IUPAC Name | (((2-(4-Hydroxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid |
| Molecular Formula | C16H20N2O10S2 |
| Molecular Weight | 464.47 |
| SMILES | C(C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(=O)(=O)O)C=2C=3C(NC2)=CC=CC3O |
| InChI Key | CSMYCLLHRFFFLG-IRHMCKRBSA-N |
| Synonym | 4-Hydroxyglucobrassicin;4-hydroxy-3-indolylmethylglucosinolate;4-HYDROXY-3-INDOLYLMETHYLGLUCOSINATE;1-Thio-β-D-glucopyranose 1-[4-hydroxy-N-(hydroxysulfonyloxy)-1H-indole-3-ethane-1-imidate];1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-2-(4-hydroxy-1H-indol-3-yl)ethaneimidate];1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-4-hydroxy-1H-indole-3-ethaneimidate];4-Hydroxyglucobrassin;Hydroxyglucobrassicin |
| CAS No. | 83327-20-2 |
Synthetic Route by SureRoute
2. ACGBPL878 Molecular Building Block Synthetic Route
(((2-(4-Methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid
Potassium (2-(1-methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino sulfate
(((2-(1-Methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid