TL;DR: beta-D-Glucopyranosiduronic acid, 2-amino-3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-5-yl (CAS 130146-78-0) is a chemical compound with molecular formula C17H19N5O7 and molecular weight 405.12845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-6-(2-amino-3,8-dimethylimidazo[4,5-f]quinoxalin-5-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 2-amino-3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-5-yl, 2-amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxalin-5-yl beta-D-glucopyranosiduronic acid, 2-Imino-3,8-dimethyl-2,3-dihydro-1H-imidazo[4,5-f]quinoxalin-5-yl hexopyranosiduronic acid, 5-(beta-D-Glucopyranuronosyloxy)-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline-2-amine, (2S,3S,4S,5R,6S)-6-({2-amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxalin-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C17H19N5O7 |
| Molecular Weight | 405.12845 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.12845 Da |
| Heavy Atoms | 29 |
| Complexity | 629.0 |
| SMILES | CC1=NC2=C3C(=CC(=C2N=C1)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)N(C(=N3)N)C |
| InChIKey | DYVPYKMGQXCTTG-JHZZJYKESA-N |
The XLogP value of -1.1 indicates that beta-D-Glucopyranosiduronic acid, 2-amino-3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-5-yl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 2-amino-3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-5-yl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 2-amino-3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-5-yl has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of beta-D-Glucopyranosiduronic acid, 2-amino-3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-5-yl is 130146-78-0.
The molecular formula of beta-D-Glucopyranosiduronic acid, 2-amino-3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-5-yl is C17H19N5O7.
The molecular weight of beta-D-Glucopyranosiduronic acid, 2-amino-3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-5-yl is 405.12845 g/mol.
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