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≥95% 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(O1)N2C=C(C(=O)NC2=O)Br)F)OC(=O)C |
|---|---|
| IUPAC Name | [(2R,3R,4R,5R)-3-acetyloxy-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methyl acetate |
| InChIKey | GXBDBWHTVDEDMG-DNRKLUKYSA-N |
| INCHI | 1S/C13H14BrFN2O7/c1-5(18)22-4-8-10(23-6(2)19)9(15)12(24-8)17-3-7(14)11(20)16-13(17)21/h3,8-10,12H,4H2,1-2H3,(H,16,20,21)/t8-,9-,10-,12-/m1/s1 |
| Isomeric SMILES | CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)Br)F)OC(=O)C |
| PubChem CID | 91827912 |
| Molecular Weight | 409.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 409.160 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 407.997 Da |
| Monoisotopic Mass | 407.997 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 611.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |