TL;DR: (2R,3S,4S,5R,6S)-2-methyl-6-phenoxy-tetrahydropyran-3,4,5-triol (CAS 15647-71-9) is a chemical compound with molecular formula C12H16O5 and molecular weight 240.09978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4S,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
Also Known As: Phenyl 6-deoxy-beta-D-glucopyranoside, Phenyl 6-deoxy-I(2)-D-glucopyranoside, .beta.-D-Glucopyranoside, phenyl 6-deoxy-, (2R,3S,4S,5R,6S)-2-methyl-6-phenoxy-tetrahydropyran-3,4,5-triol, (2R,3S,4S,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H16O5 |
| Molecular Weight | 240.09978 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.09978 Da |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2)O)O)O |
| InChIKey | REPZTFJHHCCRRS-URYVQPGZSA-N |
The XLogP value of -0.4 indicates that (2R,3S,4S,5R,6S)-2-methyl-6-phenoxy-tetrahydropyran-3,4,5-triol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S,4S,5R,6S)-2-methyl-6-phenoxy-tetrahydropyran-3,4,5-triol. Following Lipinski's Rule of Five, (2R,3S,4S,5R,6S)-2-methyl-6-phenoxy-tetrahydropyran-3,4,5-triol has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2R,3S,4S,5R,6S)-2-methyl-6-phenoxy-tetrahydropyran-3,4,5-triol is 15647-71-9.
The molecular formula of (2R,3S,4S,5R,6S)-2-methyl-6-phenoxy-tetrahydropyran-3,4,5-triol is C12H16O5.
The molecular weight of (2R,3S,4S,5R,6S)-2-methyl-6-phenoxy-tetrahydropyran-3,4,5-triol is 240.09978 g/mol.
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