TL;DR: 2-[4,5-Dihydroxy-6-(2-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol (CAS 157956-98-4) is a chemical compound with molecular formula C16H21NO11 and molecular weight 403.11145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4,5-dihydroxy-6-(2-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol
Also Known As: o-Nitrophenyl-beta-D-xylobioside, o-Nitrophenyl-b-D-xylobioside, 2-Nitrophenyl b-D-xylobioside, o-Nitrophenyl-, A-D-xylobioside
| Molecular Formula | C16H21NO11 |
| Molecular Weight | 403.11145 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 184.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.11145 Da |
| Heavy Atoms | 28 |
| Complexity | 531.0 |
| SMILES | C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3=CC=CC=C3[N+](=O)[O-])O)O)O |
| InChIKey | CURNKPXYSFMDNI-UHFFFAOYSA-N |
The XLogP value of -1.9 indicates that 2-[4,5-Dihydroxy-6-(2-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting 2-[4,5-Dihydroxy-6-(2-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4,5-Dihydroxy-6-(2-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[4,5-Dihydroxy-6-(2-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol is 157956-98-4.
The molecular formula of 2-[4,5-Dihydroxy-6-(2-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol is C16H21NO11.
The molecular weight of 2-[4,5-Dihydroxy-6-(2-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol is 403.11145 g/mol.
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