≥98%(HPLC) 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 | COC1=CC=C(C=C1)OC2C(C(C3C(O2)COC(O3)C4=CC=CC=C4)O)N5C(=O)C6=CC=CC=C6C5=O |
|---|---|
| IUPAC Name | 2-[(4aR,6S,7R,8R,8aS)-8-hydroxy-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione |
| InChIKey | SHSWKRFHEJOKLK-XSVWMRDFSA-N |
| INCHI | 1S/C28H25NO8/c1-33-17-11-13-18(14-12-17)35-28-22(29-25(31)19-9-5-6-10-20(19)26(29)32)23(30)24-21(36-28)15-34-27(37-24)16-7-3-2-4-8-16/h2-14,21-24,27-28,30H,15H2,1H3/t21-,22-,23-,24-,27?,28-/m1/s1 |
| Isomeric SMILES | COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)COC(O3)C4=CC=CC=C4)O)N5C(=O)C6=CC=CC=C6C5=O |
| PubChem CID | 68719463 |
| Molecular Weight | 503.51 |
| Reaxy-Rn | 3579640 |
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 →| Sensitivity | Heat Sensitive |
|---|---|
| Specific Rotation[α] | 11.5° (C=1,CHCl3) |
| Melt Point(°C) | 142 °C |
| Molecular Weight | 503.500 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 503.158 Da |
| Monoisotopic Mass | 503.158 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 801.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
