TL;DR: O-((Nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid (CAS 122211-31-8) is a chemical compound with molecular formula C14H25NO15S and molecular weight 479.09448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,4,5,6-tetrahydroxyhexanoic acid
Also Known As: Glc-nac6S-idoa, O-((Nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid, [4-[9-(4-azaniumylphenoxy)nonoxy]phenyl]azanium dichloride, (2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,4,5,6-tetrahydroxyhexanoic acid, 3-o-[2-(acetylamino)-2-deoxy-6-o-sulfo-
| Molecular Formula | C14H25NO15S |
| Molecular Weight | 479.09448 g/mol |
| XLogP | -5.9 |
| Topological Polar Surface Area (TPSA) | 278.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 479.09448 Da |
| Heavy Atoms | 31 |
| Complexity | 711.0 |
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]([C@@H]([C@H](CO)O)O)[C@H](C(=O)O)O)COS(=O)(=O)O)O)O |
| InChIKey | SIGLKDHQMISGEY-YUDSPMMPSA-N |
The XLogP value of -5.9 indicates that O-((Nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 278.0 Ų indicates high polarity, suggesting O-((Nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-((Nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of O-((Nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid is 122211-31-8.
The molecular formula of O-((Nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid is C14H25NO15S.
The molecular weight of O-((Nalpha)-acetylglucosamine 6-sulfate)-(1-3)-idonic acid is 479.09448 g/mol.
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