Account (2S,4S,5R,6R)-5-Acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACDGXJ872
- CAS No. :
- 153248-52-3
- Molecular Formula :
- C19H22BrClN2O9
- Molecular Weight :
- 537.75
IUPAC Name:(2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,4S,5R,6R)-5-Acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C19H22BrClN2O9 |
| Molecular Weight | 537.75 |
| SMILES | O=C([C@@]1(OC2=CNC3=C2C(Cl)=C(Br)C=C3)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1)O |
| InChI Key | YYWCAOZKVRMNIQ-QZUCQFSHSA-N |
| Synonym | 2-O-(5-broMo-4-chloroindol-3-yl)sialic acid;a-NeuraMinic acid, N-acetyl-2-O-(5-broMo-4-chloro-1H-indol-3-yl)-;(2S,4S,5R,6R)-5-Acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-t;5-bromo-4-chloro-indol-3-yl-(5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosylonic acid);α-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)- |
| CAS No. | 153248-52-3 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACDGXJ872 Molecular Building Block Synthetic Route
Sodium (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate
(1S,2S)-1-((2R,3R,4S,6S)-3-acetamido-4-acetoxy-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate
(2R,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-2-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid