≥98% 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.
| Pubchem Sid | 488195726 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195726 |
| Canonical Smiles | CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate |
| InChIKey | JCKOUAWEMPKIAT-OBKDMQGPSA-N |
| INCHI | 1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1 |
| Isomeric SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C |
| WGK Germany | 3 |
| PubChem CID | 6364823 |
| Molecular Weight | 440.46 |
| Reaxy-Rn | 62917 |
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 acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | Thioglycosides Aryl thioethers Oxanes Monosaccharides Benzene and substituted derivatives Monothioacetals Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Tetracarboxylic acid or derivatives - S-glycosyl compound - Glycosyl compound - Aryl thioether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Monothioacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B23221015 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B23221018 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B23221045 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B23221052 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B23221053 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B2322933 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B2322993 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B2323311 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B2323322 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| B2323325 | Certificate of Analysis | Oct 09, 2022 | P160235 |
| Solubility | Slightly soluble in Chloroform |
|---|---|
| Sensitivity | Heat Sensitive |
| Melt Point(°C) | 118°C(lit.) |
| Molecular Weight | 440.500 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 440.114 Da |
| Monoisotopic Mass | 440.114 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 632.000 |
| 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 |
