TL;DR: 2,3,4-Tafagg (CAS 115921-25-0) is a chemical compound with molecular formula C36H50BrNO22 and molecular weight 927.2008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2R,3S,4S,5R,6S)-5-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-6-bromo-3-hydroxy-3,5-bis(2-oxoethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]propanoic acid
Also Known As: 2,3,4-Tafagg, 3-[(2R,3S,4S,5R,6S)-5-[(2R,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-6-bromo-3-hydroxy-3,5-bis(2-oxoethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]propanoic acid, O-(2,3,4-Tri-O-acetylfucopyranosy)-(1-3)-O-(2-acetamido-4,6-di-O-acetyl-2-deoxyglucopyranosyl)-(1-3)-2,4,6-tri-O-acetylgalactopyranosyl bromide, 2-Acetamido-4,6-di-O-acetyl-2-deoxy-alpha-D-glucopyranosyl-(1->2)-[2,3,4-tri-O-acetyl-6-deoxy-alpha-L-galactopyranosyl-(1->3)]-6,7-dideoxy-2,4-bis-C-(2-oxoethyl)-beta-D-galacto-octopyranuronosyl bromide, O-(2,3,4-tri-O-acetylfucopyranosy)-(1--3)-O-(2-acetamido-4,6-di-O-acetyl-2-deoxyglucopyranosyl)-(1--
| Molecular Formula | C36H50BrNO22 |
| Molecular Weight | 927.2008 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 319.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Exact Mass | 927.2008 Da |
| Heavy Atoms | 60 |
| Complexity | 1610.0 |
| SMILES | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@]([C@H](O[C@H]([C@]2(CC=O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)O)NC(=O)C)Br)CCC(=O)O)(CC=O)O)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | YEXNVOGGZXRLGA-ICQDQWLCSA-N |
The XLogP value of -2.5 indicates that 2,3,4-Tafagg is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 319.0 Ų indicates high polarity, suggesting 2,3,4-Tafagg may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4-Tafagg has 4 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,3,4-Tafagg is 115921-25-0.
The molecular formula of 2,3,4-Tafagg is C36H50BrNO22.
The molecular weight of 2,3,4-Tafagg is 927.2008 g/mol.
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