TL;DR: O-(2-O-Mannopyranosyl-mannopyranosyl)threonine (CAS 145435-20-7) is a chemical compound with molecular formula C16H29NO13 and molecular weight 443.16388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-amino-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoic acid
Also Known As: O-Man-man-thr, O-(2-O-Mannopyranosyl-mannopyranosyl)threonine, Mannopyranosyl-1-2-mannopyranosylthreonine, (2S,3R)-2-amino-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoic acid, L-Threonine, O-(2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)-
| Molecular Formula | C16H29NO13 |
| Molecular Weight | 443.16388 g/mol |
| XLogP | -6.8 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.16388 Da |
| Heavy Atoms | 30 |
| Complexity | 567.0 |
| SMILES | C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | CWOMVMJEUUEVOR-YUFGCWDRSA-N |
The XLogP value of -6.8 indicates that O-(2-O-Mannopyranosyl-mannopyranosyl)threonine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting O-(2-O-Mannopyranosyl-mannopyranosyl)threonine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-(2-O-Mannopyranosyl-mannopyranosyl)threonine has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of O-(2-O-Mannopyranosyl-mannopyranosyl)threonine is 145435-20-7.
The molecular formula of O-(2-O-Mannopyranosyl-mannopyranosyl)threonine is C16H29NO13.
The molecular weight of O-(2-O-Mannopyranosyl-mannopyranosyl)threonine is 443.16388 g/mol.
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