Methyl 3-deoxy-3-nitrohexopyranoside
TL;DR: Methyl 3-deoxy-3-nitrohexopyranoside (CAS 4631-21-4) is a chemical compound with molecular formula C7H13NO7 and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-6-methoxy-4-nitrooxane-3,5-diol
Also Known As: Methyl 3-deoxy-3-nitrohexopyranoside, 2-(hydroxymethyl)-6-methoxy-4-nitrooxane-3,5-diol, 2-(hydroxymethyl)-6-methoxy-4-nitro-oxane-3,5-diol
| Molecular Formula | C7H13NO7 |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0692 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 4631-21-4 |
|---|---|
| SMILES | COC1C(C(C(C(O1)CO)O)[N+](=O)[O-])O |
| InChIKey | PQPUXJMPHURQIH-UHFFFAOYSA-N |
Product Overview
Methyl 3-deoxy-3-nitrohexopyranoside (CAS 4631-21-4), with molecular formula C7H13NO7 and molecular weight 223.07 g/mol. IUPAC: 2-(hydroxymethyl)-6-methoxy-4-nitrooxane-3,5-diol.
Chemical Property Profile of Methyl 3-deoxy-3-nitrohexopyranoside
Property Insights of Methyl 3-deoxy-3-nitrohexopyranoside
The XLogP value of -1.0 indicates that Methyl 3-deoxy-3-nitrohexopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-deoxy-3-nitrohexopyranoside. Following Lipinski's Rule of Five, Methyl 3-deoxy-3-nitrohexopyranoside has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-deoxy-3-nitrohexopyranoside?
The CAS number of Methyl 3-deoxy-3-nitrohexopyranoside is 4631-21-4.
What is the molecular formula of Methyl 3-deoxy-3-nitrohexopyranoside?
The molecular formula of Methyl 3-deoxy-3-nitrohexopyranoside is C7H13NO7.
What is the molecular weight of Methyl 3-deoxy-3-nitrohexopyranoside?
The molecular weight of Methyl 3-deoxy-3-nitrohexopyranoside is 223.07 g/mol.
Where can I buy Methyl 3-deoxy-3-nitrohexopyranoside?
You can request a quote for Methyl 3-deoxy-3-nitrohexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-deoxy-3-nitrohexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-deoxy-3-nitrohexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.