≥99% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Dapagliflozin impurity is an enantiomer of Dapagliflozin which is a sodium-glucose transporter 2 inhibitor.
Form:Solid
| Canonical Smiles | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)CO)O)O)O)O)Cl |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| InChIKey | KYDGWGYAUCJZDV-ADAARDCZSA-N |
| INCHI | 1S/C21H25ClO7/c1-2-28-15-6-3-12(4-7-15)9-13-10-14(5-8-16(13)22)21(27)20(26)19(25)18(24)17(11-23)29-21/h3-8,10,17-20,23-27H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 |
| Isomeric SMILES | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)Cl |
| PubChem CID | 59648701 |
| Molecular Weight | 424.87 |
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 | Glycosyl compounds |
| Direct Parent | Phenolic glycosides |
| Alternative Parents | Diphenylmethanes Hexoses Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Oxanes Aryl chlorides Secondary alcohols Hemiacetals 1,2-diols Oxacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenolic glycoside - Diphenylmethane - Hexose monosaccharide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Secondary alcohol - Hemiacetal - 1,2-diol - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Hydrocarbon derivative - Organohalogen compound - Organochloride - Alcohol - 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 |
| Solubility | DMSO : 25 mg/mL (58.84 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 424.900 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 424.129 Da |
| Monoisotopic Mass | 424.129 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 515.000 |
| 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 |
