methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside
TL;DR: methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside (CAS 4969-34-0) is a chemical compound with molecular formula C13H19NO10 and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-6-methoxy-2-(nitromethyl)oxan-3-yl] acetate
Also Known As: methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside, [4,5-diacetyloxy-6-methoxy-2-(nitromethyl)oxan-3-yl] acetate, [3,5-diacetyloxy-2-methoxy-6-(nitromethyl)oxan-4-yl] acetate
| Molecular Formula | C13H19NO10 |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.1009 |
| Heavy Atoms | 24 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 4969-34-0 |
|---|---|
| SMILES | CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC)C[N+](=O)[O-] |
| InChIKey | FHMUFHLTUMHQDB-UHFFFAOYSA-N |
Product Overview
methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside (CAS 4969-34-0), with molecular formula C13H19NO10 and molecular weight 349.10 g/mol. IUPAC: [4,5-diacetyloxy-6-methoxy-2-(nitromethyl)oxan-3-yl] acetate.
Chemical Property Profile of methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside
Property Insights of methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside
The XLogP value of -0.4 indicates that methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside has 0 hydrogen bond donor(s) and 10 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 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside?
The CAS number of methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside is 4969-34-0.
What is the molecular formula of methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside?
The molecular formula of methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside is C13H19NO10.
What is the molecular weight of methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside?
The molecular weight of methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside is 349.10 g/mol.
Where can I buy methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside?
You can request a quote for methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,3,4-tri-O-acetyl-6-deoxy-6-nitrohexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.