TL;DR: 4-Nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside (CAS 83831-25-8) is a chemical compound with molecular formula C18H25NO13 and molecular weight 463.1326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: NGPMP, 4-Nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside, Para-nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside, 4-nitrophenyl 2-o-, A-d-glucopyranosyl-
| Molecular Formula | C18H25NO13 |
| Molecular Weight | 463.1326 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 224.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1326 Da |
| Heavy Atoms | 32 |
| Complexity | 612.0 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | ZGWCYKZKLZNQQX-NWRHGGHFSA-N |
The XLogP value of -2.0 indicates that 4-Nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting 4-Nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside is 83831-25-8.
The molecular formula of 4-Nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside is C18H25NO13.
The molecular weight of 4-Nitrophenyl 2-O-alpha-D-glucopyranosyl-alpha-D-mannopyranoside is 463.1326 g/mol.
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