≥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 | C1=C2C(=CC(=C1Br)Cl)NC=C2OC3C(C(C(C(O3)C(=O)O)O)O)O |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChIKey | GAZVSOQUFLIBJQ-BYNIDDHOSA-N |
| INCHI | 1S/C14H13BrClNO7/c15-5-1-4-7(2-6(5)16)17-3-8(4)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14+/m0/s1 |
| Isomeric SMILES | C1=C2C(=CC(=C1Br)Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| PubChem CID | 2733775 |
| Molecular Weight | 422.62 |
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 | Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides |
| Direct Parent | O-glucuronides |
| Alternative Parents | Hexoses O-glycosyl compounds Indoles Beta hydroxy acids and derivatives Substituted pyrroles Pyrans Benzenoids Aryl chlorides Aryl bromides Oxanes Heteroaromatic compounds Secondary alcohols Carboxylic acids Polyols Azacyclic compounds Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Indole or derivatives - Indole - Beta-hydroxy acid - Aryl bromide - Aryl chloride - Benzenoid - Substituted pyrrole - Hydroxy acid - Pyran - Oxane - Monosaccharide - Aryl halide - Pyrrole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Polyol - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organochloride - Organobromide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. |
| External Descriptors | Not available |
| Molecular Weight | 422.610 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 420.956 Da |
| Monoisotopic Mass | 420.956 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 486.000 |
| 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 |
![(2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - ≥98% CAS No(144110-42-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/6/T664027.jpg)