TL;DR: (1S,2S,4R,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol (CAS 1070789-99-9) is a chemical compound with molecular formula C8H16O6 and molecular weight 208.09468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S,4R,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol
Also Known As: 1,4-Di-O-methyl-scyllo-inositol, 2-O,5-O-Dimethyl-D-myo-inositol, 2-O,5-O-Dimethyl-L-myo-inositol, J3.153.024E, (1R,2R,4S,5S)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol
| Molecular Formula | C8H16O6 |
| Molecular Weight | 208.09468 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.09468 Da |
| Heavy Atoms | 14 |
| Complexity | 151.0 |
| SMILES | COC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)OC)O)O |
| InChIKey | DYQWYDODKPTUPA-PCMRJDRZSA-N |
The XLogP value of -2.6 indicates that (1S,2S,4R,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2S,4R,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol. Following Lipinski's Rule of Five, (1S,2S,4R,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1S,2S,4R,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol is 1070789-99-9.
The molecular formula of (1S,2S,4R,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol is C8H16O6.
The molecular weight of (1S,2S,4R,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol is 208.09468 g/mol.
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