TL;DR: 11-Hydroxyprogesterone 11-glucuronide (CAS 15081-25-1) is a chemical compound with molecular formula C27H38O9 and molecular weight 506.2516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[[(10R,11R,13S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 11-Hpg, KST-1A1579, 11-Hydroxyprogesterone 11-glucuronide, 3,20-Dioxopregn-4-en-11-yl hexopyranosiduronic acid, (8xi,9xi,11
| Molecular Formula | C27H38O9 |
| Molecular Weight | 506.2516 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.2516 Da |
| Heavy Atoms | 36 |
| Complexity | 976.0 |
| SMILES | CC(=O)[C@H]1CCC2[C@@]1(C[C@H](C3C2CCC4=CC(=O)CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C |
| InChIKey | WVTMNZAPPOMZST-JZCVQVRRSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Hydroxyprogesterone 11-glucuronide. The TPSA of 151.0 Ų indicates high polarity, suggesting 11-Hydroxyprogesterone 11-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-Hydroxyprogesterone 11-glucuronide has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 11-Hydroxyprogesterone 11-glucuronide is 15081-25-1.
The molecular formula of 11-Hydroxyprogesterone 11-glucuronide is C27H38O9.
The molecular weight of 11-Hydroxyprogesterone 11-glucuronide is 506.2516 g/mol.
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