≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)Cl |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChIKey | ZYZULHSUKTZGTR-PTNNFGGUSA-N |
| INCHI | 1S/C27H33ClO12/c1-2-37-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)28)23-22(34)24(18(30)17(11-29)38-23)39-27-21(33)19(31)20(32)25(40-27)26(35)36/h3-8,10,17-25,27,29-34H,2,9,11H2,1H3,(H,35,36)/t17-,18-,19+,20+,21-,22+,23+,24+,25+,27-/m1/s1 |
| Molecular Weight | 585 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Glycosyl compounds |
| Direct Parent | Phenolic glycosides |
| Alternative Parents | O-glucuronides Diphenylmethanes C-glycosyl compounds O-glycosyl compounds Disaccharides Phenoxy compounds Phenol ethers Alkyl aryl ethers Beta hydroxy acids and derivatives Chlorobenzenes Pyrans Aryl chlorides Oxanes Secondary alcohols Acetals Polyols Oxacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Primary alcohols Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Diphenylmethane - Disaccharide - O-glycosyl compound - C-glycosyl compound - Phenol ether - Phenoxy compound - Beta-hydroxy acid - Chlorobenzene - Halobenzene - Alkyl aryl ether - Pyran - Hydroxy acid - Oxane - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Hydrocarbon derivative - Alcohol - Organochloride - Organic oxide - Organohalogen compound - Primary alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
| External Descriptors | Not available |
| Molecular Weight | 585.000 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 584.166 Da |
| Monoisotopic Mass | 584.166 Da |
| Topological Polar Surface Area | 196.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 812.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| 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 |
