TL;DR: 2-(Hydroxymethyl)-5-[(3-nitrophenyl)amino]oxolane-3,4-diol (CAS 1173182-73-4) is a chemical compound with molecular formula C11H14N2O6 and molecular weight 270.08517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hydroxymethyl)-5-(3-nitroanilino)oxolane-3,4-diol
Also Known As: N-(3-nitrophenyl)pentofuranosylamine, BAS 00293238, 2-(hydroxymethyl)-5-[(3-nitrophenyl)amino]oxolane-3,4-diol, 2-(hydroxymethyl)-5-(3-nitroanilino)oxolane-3,4-diol, 2-Hydroxymethyl-5-(3-nitro-phenylamino)-tetrahydro-furan-3,4-diol
| Molecular Formula | C11H14N2O6 |
| Molecular Weight | 270.08517 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.08517 Da |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC2C(C(C(O2)CO)O)O |
| InChIKey | PJTVTWRIKMCPKR-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-5-[(3-nitrophenyl)amino]oxolane-3,4-diol. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-5-[(3-nitrophenyl)amino]oxolane-3,4-diol. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-5-[(3-nitrophenyl)amino]oxolane-3,4-diol has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Hydroxymethyl)-5-[(3-nitrophenyl)amino]oxolane-3,4-diol is 1173182-73-4.
The molecular formula of 2-(Hydroxymethyl)-5-[(3-nitrophenyl)amino]oxolane-3,4-diol is C11H14N2O6.
The molecular weight of 2-(Hydroxymethyl)-5-[(3-nitrophenyl)amino]oxolane-3,4-diol is 270.08517 g/mol.
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