p-Nitrophenyl beta-D-glucuronide
TL;DR: p-Nitrophenyl beta-D-glucuronide (CAS 10344-94-2) is a chemical compound with molecular formula C12H13NO9 and molecular weight 315.05902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylic acid
Also Known As: PNPG, 4-Nitrophenyl beta-D-glucuronide, 4-Nitrophenylglucuronide, 4-nitrophenyl-beta-D-glucuronide, 4-Nitrophenyl beta-D-glucopyranosiduronic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13NO9 |
| Molecular Weight | 315.05902 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.05902 Da |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | QSUILVWOWLUOEU-GOVZDWNOSA-N |
Chemical Property Profile of p-Nitrophenyl beta-D-glucuronide
Property Insights of p-Nitrophenyl beta-D-glucuronide
The XLogP value of -0.2 indicates that p-Nitrophenyl beta-D-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting p-Nitrophenyl beta-D-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, p-Nitrophenyl beta-D-glucuronide has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Nitrophenyl beta-D-glucuronide?
The CAS number of p-Nitrophenyl beta-D-glucuronide is 10344-94-2.
What is the molecular formula of p-Nitrophenyl beta-D-glucuronide?
The molecular formula of p-Nitrophenyl beta-D-glucuronide is C12H13NO9.
What is the molecular weight of p-Nitrophenyl beta-D-glucuronide?
The molecular weight of p-Nitrophenyl beta-D-glucuronide is 315.05902 g/mol.
Where can I buy p-Nitrophenyl beta-D-glucuronide?
You can request a quote for p-Nitrophenyl beta-D-glucuronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Nitrophenyl beta-D-glucuronide?
Yes, CoreyChem provides custom synthesis services for p-Nitrophenyl beta-D-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.