TL;DR: N-(N-maleoylglycyl)-2-amino-2-deoxyglucopyranose (CAS 118377-58-5) is a chemical compound with molecular formula C12H16N2O8 and molecular weight 316.09067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: 2-Glcnmg, N-(N-Maleoylglycyl)-2-amino-2-deoxyglucopyranose, 2-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, D-Glucopyranose, 2-deoxy-2-(((2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl)amino)-, 2-Deoxy-2-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-hydroxyethylidene]amino}-D-glucopyranose
| Molecular Formula | C12H16N2O8 |
| Molecular Weight | 316.09067 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.09067 Da |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
| SMILES | C1=CC(=O)N(C1=O)CC(=O)N[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O |
| InChIKey | KALLSBYPQWGQEQ-PUKZPUHOSA-N |
The XLogP value of -3.3 indicates that N-(N-maleoylglycyl)-2-amino-2-deoxyglucopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting N-(N-maleoylglycyl)-2-amino-2-deoxyglucopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(N-maleoylglycyl)-2-amino-2-deoxyglucopyranose has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(N-maleoylglycyl)-2-amino-2-deoxyglucopyranose is 118377-58-5.
The molecular formula of N-(N-maleoylglycyl)-2-amino-2-deoxyglucopyranose is C12H16N2O8.
The molecular weight of N-(N-maleoylglycyl)-2-amino-2-deoxyglucopyranose is 316.09067 g/mol.
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