TL;DR: 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-L-mannose (CAS 157676-09-0) is a chemical compound with molecular formula C12H18O10 and molecular weight 322.09 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S)-3,4-dihydroxy-2-[(2R,3R,4S,5S)-3,4,5-trihydroxy-1-oxohexan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Also Known As: Lepidimoic acid, 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-L-mannose, 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hexa-4-enopyranuronosyl)-L-mannose, 6-Deoxy-2-O-(4-deoxy-I(2)-L-threo-hex-4-enopyranuronosyl)-L-mannose, (2S,3R,4S)-3,4-dihydroxy-2-[(2R,3R,4S,5S)-3,4,5-trihydroxy-1-oxohexan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
| Molecular Formula | C12H18O10 |
| Molecular Weight | 322.09 g/mol |
| XLogP | -3.1 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.09 Da |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
| SMILES | C[C@@H]([C@@H]([C@H]([C@H](C=O)O[C@@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)O)O)O)O |
| InChIKey | QBGKPEAXMXPRAZ-GOKNYXDLSA-N |
The XLogP value of -3.1 indicates that 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-L-mannose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-L-mannose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-L-mannose has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-L-mannose is 157676-09-0.
The molecular formula of 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-L-mannose is C12H18O10.
The molecular weight of 6-Deoxy-2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-L-mannose is 322.09 g/mol.
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