2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose
TL;DR: 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose (CAS 40861-29-8) is a chemical compound with molecular formula C26H22N2O11 and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-(4-nitrobenzoyl)oxy-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate
Also Known As: 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose, 2-O-Benzyl 3,5-di-p-nitrobenzoyl-d-arabinoside, 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose #, [5-hydroxy-3-(4-nitrobenzoyl)oxy-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate, RefChem:264470
| Molecular Formula | C26H22N2O11 |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 538.1224 |
| Heavy Atoms | 39 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 40861-29-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2C(C(OC2O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | BEWVYGIHUQSBOX-UHFFFAOYSA-N |
Product Overview
2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose (CAS 40861-29-8), with molecular formula C26H22N2O11 and molecular weight 538.12 g/mol. IUPAC: [5-hydroxy-3-(4-nitrobenzoyl)oxy-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate.
Chemical Property Profile of 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose
Property Insights of 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose
The XLogP value of 3.6 indicates that 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose?
The CAS number of 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose is 40861-29-8.
What is the molecular formula of 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose?
The molecular formula of 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose is C26H22N2O11.
What is the molecular weight of 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose?
The molecular weight of 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose is 538.12 g/mol.
Where can I buy 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose?
You can request a quote for 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose?
Yes, KEHONG BIO provides custom synthesis services for 2-O-Benzyl-3,5-bis-O-(4-nitrobenzoyl)pentofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.