methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside
TL;DR: methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside (CAS 74595-62-3) is a chemical compound with molecular formula C11H17NO8 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S,5R,6R)-5-acetyloxy-6-methoxy-4-methyl-4-nitrooxan-3-yl] acetate
Also Known As: Mdadmnxp, [(3S,4S,5R,6R)-5-acetyloxy-6-methoxy-4-methyl-4-nitrooxan-3-yl] acetate, beta-D-Xylopyranoside, methyl 3-deoxy-3-C-methyl-3-nitro-, 2,4-diacetate, Methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro beta-D-xylopyranoside, Methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside
| Molecular Formula | C11H17NO8 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.09543 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 74595-62-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@]1(C)[N+](=O)[O-])OC(=O)C)OC |
| InChIKey | QWPUFLUZODDGIW-YTWAJWBKSA-N |
Product Overview
methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside (CAS 74595-62-3), with molecular formula C11H17NO8 and molecular weight 291.10 g/mol. IUPAC: [(3S,4S,5R,6R)-5-acetyloxy-6-methoxy-4-methyl-4-nitrooxan-3-yl] acetate.
Chemical Property Profile of methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside
Property Insights of methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside
The XLogP value of -0.2 indicates that methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside. Following Lipinski's Rule of Five, methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside has 0 hydrogen bond donor(s) and 8 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 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside?
The CAS number of methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside is 74595-62-3.
What is the molecular formula of methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside?
The molecular formula of methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside is C11H17NO8.
What is the molecular weight of methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside?
The molecular weight of methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside is 291.10 g/mol.
Where can I buy methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside?
You can request a quote for methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,4-di-O-acetyl-3-deoxy-3-C-methyl-3-nitro-beta-D-xylopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.