TL;DR: methyl-2-O-fucopyranosylfucopyranoside4-sulfate (CAS 131511-45-0) is a chemical compound with molecular formula C13H24O12S and molecular weight 404.09885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4R,5R)-4,6-dihydroxy-2-methyl-5-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] methyl sulfate
Also Known As: methyl-2-O-fucopyranosylfucopyranoside4-sulfate
| Molecular Formula | C13H24O12S |
| Molecular Weight | 404.09885 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.09885 Da |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O)C)OS(=O)(=O)OC)O)O)O)O |
| InChIKey | RRCCHPDHYHZDON-FGWZZHSFSA-N |
The XLogP value of -3.0 indicates that methyl-2-O-fucopyranosylfucopyranoside4-sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting methyl-2-O-fucopyranosylfucopyranoside4-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl-2-O-fucopyranosylfucopyranoside4-sulfate has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of methyl-2-O-fucopyranosylfucopyranoside4-sulfate is 131511-45-0.
The molecular formula of methyl-2-O-fucopyranosylfucopyranoside4-sulfate is C13H24O12S.
The molecular weight of methyl-2-O-fucopyranosylfucopyranoside4-sulfate is 404.09885 g/mol.
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