3-Methyl-4-nitrophenyl hexopyranosiduronic acid
TL;DR: 3-Methyl-4-nitrophenyl hexopyranosiduronic acid (CAS 1150-40-9) is a chemical compound with molecular formula C13H15NO9 and molecular weight 329.07468 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-(3-methyl-4-nitrophenoxy)oxane-2-carboxylic acid
Also Known As: 3-Methyl-4-nitrophenyl hexopyranosiduronic acid, 3-methyl-4-nitrophenyl, A-d-glucopyranosiduronic acid, 3-Methyl-4-nitrophenyl beta-D-glucopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 3-methyl-4-nitrophenyl
Technical Specifications
| Molecular Formula | C13H15NO9 |
| Molecular Weight | 329.07468 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 | 329.07468 Da |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
| SMILES | CC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[N+](=O)[O-] |
| InChIKey | RKLQXSUKTCODIO-XPORZQOISA-N |
Chemical Property Profile of 3-Methyl-4-nitrophenyl hexopyranosiduronic acid
Property Insights of 3-Methyl-4-nitrophenyl hexopyranosiduronic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-nitrophenyl hexopyranosiduronic acid. The TPSA of 162.0 Ų indicates high polarity, suggesting 3-Methyl-4-nitrophenyl hexopyranosiduronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Methyl-4-nitrophenyl hexopyranosiduronic acid 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 3-Methyl-4-nitrophenyl hexopyranosiduronic acid?
The CAS number of 3-Methyl-4-nitrophenyl hexopyranosiduronic acid is 1150-40-9.
What is the molecular formula of 3-Methyl-4-nitrophenyl hexopyranosiduronic acid?
The molecular formula of 3-Methyl-4-nitrophenyl hexopyranosiduronic acid is C13H15NO9.
What is the molecular weight of 3-Methyl-4-nitrophenyl hexopyranosiduronic acid?
The molecular weight of 3-Methyl-4-nitrophenyl hexopyranosiduronic acid is 329.07468 g/mol.
Where can I buy 3-Methyl-4-nitrophenyl hexopyranosiduronic acid?
You can request a quote for 3-Methyl-4-nitrophenyl hexopyranosiduronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-4-nitrophenyl hexopyranosiduronic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-4-nitrophenyl hexopyranosiduronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.