≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)NC1C(C(C(OC1OC2=CNC3=C2C(=C(C=C3)Br)Cl)CO)O)O |
|---|---|
| IUPAC Name | N-[(2S,3R,4R,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| InChIKey | SUWPNTKTZYIFQT-LMXXTMHSSA-N |
| INCHI | 1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)10(5-21)26-16(13)25-9-4-19-8-3-2-7(17)12(18)11(8)9/h2-4,10,13-16,19,21,23-24H,5H2,1H3,(H,20,22)/t10-,13-,14+,15-,16-/m1/s1 |
| Isomeric SMILES | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC2=CNC3=C2C(=C(C=C3)Br)Cl)CO)O)O |
| PubChem CID | 9955373 |
| Molecular Weight | 449.69 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Aminosaccharides |
| Direct Parent | N-acyl-alpha-hexosamines |
| Alternative Parents | Hexoses O-glycosyl compounds Indoles Aryl bromides Aryl chlorides Benzenoids Substituted pyrroles Oxanes Acetamides Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Acetals Oxacyclic compounds Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acyl-alpha-hexosamine - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Indole or derivatives - Indole - Aryl halide - Aryl chloride - Benzenoid - Substituted pyrrole - Aryl bromide - Oxane - Monosaccharide - Acetamide - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary alcohol - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. |
| External Descriptors | Not available |
| Molecular Weight | 449.700 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 448.004 Da |
| Monoisotopic Mass | 448.004 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 517.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
