2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose
TL;DR: 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose (CAS 40861-80-1) is a chemical compound with molecular formula C33H25N3O14 and molecular weight 687.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis[(4-nitrobenzoyl)oxy]-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate
Also Known As: 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose, 1,3,5-O-Tri-p-nitrobenzoyl-2-O-benzyl-d-arabinose, 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose #, [3,5-bis[(4-nitrobenzoyl)oxy]-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate, RefChem:264469
| Molecular Formula | C33H25N3O14 |
|---|---|
| Molecular Weight | 687.13 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 687.13367 |
| Heavy Atoms | 50 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 40861-80-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2C(C(OC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | BBJHLULGQRJIQT-UHFFFAOYSA-N |
Product Overview
2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose (CAS 40861-80-1), with molecular formula C33H25N3O14 and molecular weight 687.13 g/mol. IUPAC: [3,5-bis[(4-nitrobenzoyl)oxy]-4-phenylmethoxyoxolan-2-yl]methyl 4-nitrobenzoate.
Chemical Property Profile of 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose
Property Insights of 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose
The XLogP value of 5.7 indicates that 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose has 0 hydrogen bond donor(s) and 14 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-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose?
The CAS number of 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose is 40861-80-1.
What is the molecular formula of 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose?
The molecular formula of 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose is C33H25N3O14.
What is the molecular weight of 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose?
The molecular weight of 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose is 687.13 g/mol.
Where can I buy 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose?
You can request a quote for 2-O-Benzyl-1,3,5-tris-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-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose?
Yes, KEHONG BIO provides custom synthesis services for 2-O-Benzyl-1,3,5-tris-O-(4-nitrobenzoyl)pentofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.