Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate
TL;DR: Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate (CAS 20688-71-5) is a chemical compound with molecular formula C16H19N3O11 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxylate
Also Known As: methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate, methyl 3-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxylate
| Molecular Formula | C16H19N3O11 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 429.10196 |
| Heavy Atoms | 30 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 20688-71-5 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC(=C2C(=O)OC)[N+](=O)[O-])OC(=O)C)OC(=O)C |
| InChIKey | IDRCMANXAUMYQP-UHFFFAOYSA-N |
Product Overview
Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate (CAS 20688-71-5), with molecular formula C16H19N3O11 and molecular weight 429.10 g/mol. IUPAC: methyl 3-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxylate.
Chemical Property Profile of Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate
Property Insights of Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate
The XLogP value of -0.1 indicates that Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate?
The CAS number of Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate is 20688-71-5.
What is the molecular formula of Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate?
The molecular formula of Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate is C16H19N3O11.
What is the molecular weight of Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate?
The molecular weight of Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate is 429.10 g/mol.
Where can I buy Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate?
You can request a quote for Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.