C9H12ClN3O6
TL;DR: C9H12ClN3O6 (CAS 106824-96-8) is a chemical compound with molecular formula C9H12ClN3O6 and molecular weight 293.04147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-chloro-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxylate
Also Known As: 5-bromo-1H-1,2,3-triazole-4-carbohydrazide, 2H-1,2,3-Triazole-4-carboxylic acid, 5-chloro-2-(beta-D-ribofuranosyl)-, methyl ester, methyl 5-chloro-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxylate, 5-Chloro-2-(beta-D-ribofuranosyl)-2H-1,2,3-triazole-4-carboxylic acid methyl ester, 5-Chloro-2-(beta-D-ribofuranosyl)-2H-1,2,3-triazole-4-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C9H12ClN3O6 |
| Molecular Weight | 293.04147 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.04147 Da |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
| SMILES | COC(=O)C1=NN(N=C1Cl)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
| InChIKey | GRCBSILURPLTRU-ZIYNGMLESA-N |
Chemical Property Profile of C9H12ClN3O6
Property Insights of C9H12ClN3O6
The XLogP value of -0.2 indicates that C9H12ClN3O6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H12ClN3O6. Following Lipinski's Rule of Five, C9H12ClN3O6 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C9H12ClN3O6?
The CAS number of C9H12ClN3O6 is 106824-96-8.
What is the molecular formula of C9H12ClN3O6?
The molecular formula of C9H12ClN3O6 is C9H12ClN3O6.
What is the molecular weight of C9H12ClN3O6?
The molecular weight of C9H12ClN3O6 is 293.04147 g/mol.
Where can I buy C9H12ClN3O6?
You can request a quote for C9H12ClN3O6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C9H12ClN3O6?
Yes, CoreyChem provides custom synthesis services for C9H12ClN3O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.