≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O |
|---|---|
| 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]oxane-2-carboxylic acid |
| InChIKey | YYWCAOZKVRMNIQ-QZUCQFSHSA-N |
| INCHI | 1S/C19H22BrClN2O9/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30)/t10-,11+,15+,16+,17+,19+/m0/s1 |
| Peso molecular | 537.700 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Sugar acids and derivatives - Sugar amino acids and derivatives - Pyranoid amino acids and derivatives - Neuraminic acids and derivatives - N-acylneuraminic acids and derivatives |
| Direct Parent | N-acylneuraminic acids |
| Alternative Parents | Neuraminic acids C-glucuronides C-glycosyl compounds Indoles Ketals Aryl bromides Aryl chlorides Benzenoids Substituted pyrroles Pyrans Oxanes Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Secondary alcohols Polyols Azacyclic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organobromides Organochlorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acylneuraminic acid - Neuraminic acid - C-glucuronide - C-glycosyl compound - Glycosyl compound - Indole or derivatives - Indole - Ketal - Aryl bromide - Aryl chloride - Aryl halide - Oxane - Benzenoid - Substituted pyrrole - Pyran - Heteroaromatic compound - Acetamide - Pyrrole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Primary alcohol - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent. |
| External Descriptors | Not available |
| Peso molecular | 537.700 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 536.02 Da |
| Monoisotopic Mass | 536.02 Da |
| Topological Polar Surface Area | 182.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 706.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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 |
