≥98% 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.
| Canonical Smiles | CC(=O)OCC1C(C(C(C(O1)C2=CC(=C(C=C2)F)CC3=CC4=CC=CC=C4S3)OC(=O)C)OC(=O)C)OC(=O)C |
|---|---|
| IUPAC Name | [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methyl acetate |
| InChIKey | OJQLKUIXSZUMPR-GLOKNNJPSA-N |
| INCHI | 1S/C29H29FO9S/c1-15(31)35-14-24-27(36-16(2)32)29(38-18(4)34)28(37-17(3)33)26(39-24)20-9-10-23(30)21(11-20)13-22-12-19-7-5-6-8-25(19)40-22/h5-12,24,26-29H,13-14H2,1-4H3/t24-,26+,27-,28+,29+/m1/s1 |
| Isomeric SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)F)CC3=CC4=CC=CC=C4S3)OC(=O)C)OC(=O)C)OC(=O)C |
| PubChem CID | 68587601 |
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 | Tetracarboxylic acids and derivatives C-glycosyl compounds 1-benzothiophenes 2,3,5-trisubstituted thiophenes Fluorobenzenes Oxanes Monosaccharides Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenolic glycoside - Tetracarboxylic acid or derivatives - C-glycosyl compound - 1-benzothiophene - Benzothiophene - 2,3,5-trisubstituted thiophene - Halobenzene - Fluorobenzene - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic 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 | 572.600 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 12 |
| Exact Mass | 572.152 Da |
| Monoisotopic Mass | 572.152 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 931.000 |
| 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 |
![(1S)-1,5-Anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol 2,3,4,6-tetraacetate - ≥98% CAS No(1034305-21-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/9/S999245.jpg)