![[5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate structure](/static/products/104/1043892-54-1.png)
[5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
TL;DR: [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate (CAS 1043892-54-1) is a chemical compound with molecular formula C40H41NO19 and molecular weight 839.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
Also Known As: [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate|4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside
| Molecular Formula | C40H41NO19 |
|---|---|
| Molecular Weight | 839.23 g/mol |
| LogP | 2.6103 |
| Topological Polar Surface Area | 258.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 839.2273 |
| Heavy Atoms | 60 |
| Complexity | 1994.2509 |
Chemical Identifiers
| CAS Number | 1043892-54-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])CO)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
[5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate (CAS 1043892-54-1), with molecular formula C40H41NO19 and molecular weight 839.23 g/mol. IUPAC: [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate.
Chemical Property Profile of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
Property Insights of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
The XLogP value of 2.6103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate. The TPSA of 258.09 Ų indicates high polarity, suggesting [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate has 1 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?
The CAS number of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate is 1043892-54-1.
What is the molecular formula of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?
The molecular formula of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate is C40H41NO19.
What is the molecular weight of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?
The molecular weight of [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate is 839.23 g/mol.
Where can I buy [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?
You can request a quote for [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.