tablet for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Chromogenic substrate for β-glucuronidase (GUS) gene detection.
| Sonrisas canónicas | C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+] |
|---|---|
| IUPAC Name | sodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate |
| InChIKey | IBLSVGDGSKUDCT-CYRSAHDMSA-M |
| INCHI | 1S/C14H13BrClNO7.Na/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;/h1-3,9-12,14,17-20H,(H,21,22);/q;+1/p-1/t9-,10-,11+,12-,14+;/m0./s1 |
| Isómeros SMILES | C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)Cl)Br.[Na+] |
| PubChem CID | 23664774 |
| Peso molecular | 444.59 |
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 |
| Clase | 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 Aryl bromides Pyrans Aryl chlorides Oxanes Benzenoids Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Acetals Oxacyclic compounds Azacyclic compounds Polyols Organic metal halides Organic sodium salts Organobromides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Indole - Indole or derivatives - Beta-hydroxy acid - Oxane - Pyran - Monosaccharide - Aryl halide - Hydroxy acid - Benzenoid - Aryl chloride - Substituted pyrrole - Aryl bromide - Heteroaromatic compound - Pyrrole - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Polyol - Organic nitrogen compound - Alcohol - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Solubilidad | deionized water: one tablet, 5 mg/mL |
|---|---|
| Peso molecular | 444.590 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 442.938 Da |
| Monoisotopic Mass | 442.938 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 492.000 |
| 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 | 2 |
| 1. Tian Li, Yan Bingyu, Huo Dandan, Sun Wenhui, Cui Sufang, Li Xiaojing, Zhang Xiangmei, Dong Huijun. (2023) Establishment of a visual gene knockout system based on CRISPR/Cas9 for the rare actinomycete Nonomuraea gerenzanensis. BIOTECHNOLOGY LETTERS, 45 (3): (401-410). [PMID:36650342] [10.1007/s10529-023-03347-1] |
