Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC)(N) 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.
| Canonical Smiles | CC(=O)OCC1C(C(C(C(O1)SC)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C |
|---|---|
| IUPAC Name | [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-2-yl]methyl acetate |
| InChIKey | QNHCRERIIKDXAI-PLQGUWCTSA-N |
| INCHI | 1S/C21H23NO9S/c1-10(23)28-9-15-17(29-11(2)24)18(30-12(3)25)16(21(31-15)32-4)22-19(26)13-7-5-6-8-14(13)20(22)27/h5-8,15-18,21H,9H2,1-4H3/t15-,16-,17-,18-,21+/m1/s1 |
| Isomeric SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C |
| PubChem CID | 13991662 |
| Molecular Weight | 465.47 |
| Reaxy-Rn | 4218567 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Sensitivity | Heat Sensitive |
|---|---|
| Specific Rotation[α] | 49.5° (C=1,CHCl3) |
| Melt Point(°C) | 150 °C |
| Molecular Weight | 465.500 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 465.109 Da |
| Monoisotopic Mass | 465.109 Da |
| Topological Polar Surface Area | 151.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 763.000 |
| 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 |