4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose
TL;DR: 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose (CAS 7699-38-9) is a chemical compound with molecular formula C30H44N4O18 and molecular weight 748.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[5-acetamido-6-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose, 4-Nitrophenyl N,N,N-triacetyl-b-D-chitotriose, 4-Nitrophenyl, A-D-N,N',N''-triacetylchitotriose, 4-Nitrophenyl N,N',N''-triacetyl-b-D-chitotriose
| Molecular Formula | C30H44N4O18 |
|---|---|
| Molecular Weight | 748.27 g/mol |
| LogP | -5.1467 |
| Topological Polar Surface Area | 327.43 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 748.2651 |
| Heavy Atoms | 52 |
| Complexity | 1390.143 |
Chemical Identifiers
| CAS Number | 7699-38-9 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3C(OC(C(C3O)NC(=O)C)OC4=CC=C(C=C4)[N+](=O)[O-])CO)CO)CO)O)O |
Product Overview
4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose (CAS 7699-38-9), with molecular formula C30H44N4O18 and molecular weight 748.27 g/mol. IUPAC: N-[2-[5-acetamido-6-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose
Property Insights of 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose
The XLogP value of -5.1467 indicates that 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 327.43 Ų indicates high polarity, suggesting 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose has 10 hydrogen bond donor(s) and 18 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-D-N,N',N''-triacetylchitotriose?
The CAS number of 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose is 7699-38-9.
What is the molecular formula of 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose?
The molecular formula of 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose is C30H44N4O18.
What is the molecular weight of 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose?
The molecular weight of 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose is 748.27 g/mol.
Where can I buy 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose?
You can request a quote for 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose 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-D-N,N',N''-triacetylchitotriose?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl beta-D-N,N',N''-triacetylchitotriose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.