HexNAc(?1-6)HexNAc-O-Ph(4-NO2)
TL;DR: HexNAc(?1-6)HexNAc-O-Ph(4-NO2) (CAS 235752-73-5) is a chemical compound with molecular formula C22H31N3O13 and molecular weight 545.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: 4-Nitrophenyl 2-acetamido-6-O-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-2-deoxy-a-D-galactopyranoside, N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, N-[(2R,3R,4R,5S,6R)-2-{[(2R,3R,4R,5R,6R)-5-ACETAMIDO-3,4-DIHYDROXY-6-(4-NITROPHENOXY)OXAN-2-YL]METHOXY}-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]ACETAMIDE, N-[2-[[5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Molecular Formula | C22H31N3O13 |
|---|---|
| Molecular Weight | 545.19 g/mol |
| LogP | -3.1147 |
| Topological Polar Surface Area | 239.41 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.18567 |
| Heavy Atoms | 38 |
| Complexity | 979.7431 |
Chemical Identifiers
| CAS Number | 235752-73-5 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)OC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C)O)O)CO)O)O |
Product Overview
HexNAc(?1-6)HexNAc-O-Ph(4-NO2) (CAS 235752-73-5), with molecular formula C22H31N3O13 and molecular weight 545.19 g/mol. IUPAC: N-[2-[[5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of HexNAc(?1-6)HexNAc-O-Ph(4-NO2)
Property Insights of HexNAc(?1-6)HexNAc-O-Ph(4-NO2)
The XLogP value of -3.1147 indicates that HexNAc(?1-6)HexNAc-O-Ph(4-NO2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.41 Ų indicates high polarity, suggesting HexNAc(?1-6)HexNAc-O-Ph(4-NO2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, HexNAc(?1-6)HexNAc-O-Ph(4-NO2) 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 HexNAc(?1-6)HexNAc-O-Ph(4-NO2)?
The CAS number of HexNAc(?1-6)HexNAc-O-Ph(4-NO2) is 235752-73-5.
What is the molecular formula of HexNAc(?1-6)HexNAc-O-Ph(4-NO2)?
The molecular formula of HexNAc(?1-6)HexNAc-O-Ph(4-NO2) is C22H31N3O13.
What is the molecular weight of HexNAc(?1-6)HexNAc-O-Ph(4-NO2)?
The molecular weight of HexNAc(?1-6)HexNAc-O-Ph(4-NO2) is 545.19 g/mol.
Where can I buy HexNAc(?1-6)HexNAc-O-Ph(4-NO2)?
You can request a quote for HexNAc(?1-6)HexNAc-O-Ph(4-NO2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HexNAc(?1-6)HexNAc-O-Ph(4-NO2)?
Yes, KEHONG BIO provides custom synthesis services for HexNAc(?1-6)HexNAc-O-Ph(4-NO2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.