Account (((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
- Catalog No. :
- ACBQAU936
- CAS No. :
- 5187-84-8
- Molecular Formula :
- C17H22N2O10S2
- Molecular Weight :
- 478.50
IUPAC Name:(((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
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Product Information
| Product Name | (((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 |
|---|---|
| IUPAC Name | (((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 |
| MDL No. | MFCD25371917 |
| Molecular Formula | C17H22N2O10S2 |
| Molecular Weight | 478.50 |
| SMILES | OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1SC(CC2=CN(OC)C3=CC=CC=C23)=NOS(=O)(O)=O |
| InChI Key | PKKMITFKYRCCOL-CMZRPVNOSA-N |
| Synonym | 1-methoxy-3-indolylmethylglucosinolate;1-METHOXYINDOL-3-YLMETHYLGLUCOSINOLATE;NEOGLUCOBRASSICAN;1-Methoxyindole-3-ilmethyl glucosinolate;1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-1-methoxy-1H-indole-3-ethaneimidate];1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-2-(1-methoxy-1H-indol-3-yl)ethaneimidate];neo-Glucobrassicine;Neoglucobrassin |
| CAS No. | 5187-84-8 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H228-H314
- Precautionary Statement(s)
- P210-P240-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P233-P501
Synthetic Route by SureRoute
2. ACBQAU936 Molecular Building Block Synthetic Route
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-(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
(((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