4-Nitrophenyl beta-cellobioside
TL;DR: 4-Nitrophenyl beta-cellobioside (CAS 39508-27-5) is a chemical compound with molecular formula C18H25NO13 and molecular weight 463.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: PNPC, 4-nitrophenyl-beta-D-cellobioside, 4-Nitrophenyl beta-D-cellobioside, p-Nitrophenyl beta-D-cellobioside, 4-Nitrophenyl
| Molecular Formula | C18H25NO13 |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1326 |
| Heavy Atoms | 32 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 39508-27-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
| InChIKey | IAYJZWFYUSNIPN-KFRZSCGFSA-N |
Product Overview
4-Nitrophenyl beta-cellobioside (CAS 39508-27-5), with molecular formula C18H25NO13 and molecular weight 463.13 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 4-Nitrophenyl beta-cellobioside
Property Insights of 4-Nitrophenyl beta-cellobioside
The XLogP value of -2.6 indicates that 4-Nitrophenyl beta-cellobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting 4-Nitrophenyl beta-cellobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrophenyl beta-cellobioside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitrophenyl beta-cellobioside?
The CAS number of 4-Nitrophenyl beta-cellobioside is 39508-27-5.
What is the molecular formula of 4-Nitrophenyl beta-cellobioside?
The molecular formula of 4-Nitrophenyl beta-cellobioside is C18H25NO13.
What is the molecular weight of 4-Nitrophenyl beta-cellobioside?
The molecular weight of 4-Nitrophenyl beta-cellobioside is 463.13 g/mol.
Where can I buy 4-Nitrophenyl beta-cellobioside?
You can request a quote for 4-Nitrophenyl beta-cellobioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl beta-cellobioside?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl beta-cellobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.