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Ac4GalNAl
| Catalog Number | CCR1673590094 |
| CAS | 1673590-09-4 |
| Synonyms | 2-Deoxy-2-[(1-oxo-4-pentyn-1-yl)amino]-1,3,4,6-tetraacetate-D-galactopyranose |
| IUPAC Name | [(2R,3R,4R,5R,6S)-3,4,6-Triacetyloxy-5-(pent-4-ynoylamino)oxan-2-yl]methyl acetate |
| Molecular Weight | 427.4 |
| Molecular Formula | C19H25NO10 |
| Canonical SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)CCC#C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C19H25NO10/c1-6-7-8-15(25)20-16-18(28-12(4)23)17(27-11(3)22)14(9-26-10(2)21)30-19(16)29-13(5)24/h1,14,16-19H,7-9H2,2-5H3,(H,20,25)/t14-,16-,17+,18-,19-/m1/s1 |
| InChI Key | PODQGPKRSTUNAT-IQZDNPOKSA-N |
| Boiling Point | 570.1±50.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3(Predicted) |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 724 |
| Exact Mass | 427.14784599 |
| Isomeric SMILES | CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CCC#C)OC(=O)C)OC(=O)C |
| Monoisotopic Mass | 427.14784599 |
| pKa | 12.63±0.70(Predicted) |
| Topological Polar Surface Area | 144 Ų |
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