TL;DR: Dexamethasone 21-glucoside (CAS 88158-43-4) is a chemical compound with molecular formula C28H39FO10 and molecular weight 554.25275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Dexamethasone 21-glucoside, Dexamethasone 21beta-D-glucoside, dexamethasone 21 beta-D-glucoside, (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, 9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexopyranoside
| Molecular Formula | C28H39FO10 |
| Molecular Weight | 554.25275 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 554.25275 Da |
| Heavy Atoms | 39 |
| Complexity | 1090.0 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)O)F)C |
| InChIKey | CBHWNVHRXOVHJV-INDGYWFMSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dexamethasone 21-glucoside. The TPSA of 174.0 Ų indicates high polarity, suggesting Dexamethasone 21-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dexamethasone 21-glucoside has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dexamethasone 21-glucoside is 88158-43-4.
The molecular formula of Dexamethasone 21-glucoside is C28H39FO10.
The molecular weight of Dexamethasone 21-glucoside is 554.25275 g/mol.
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