壳聚糖
TL;DR: 壳聚糖 (CAS 9012-76-4) is a chemical compound with molecular formula C56H103N9O39 and molecular weight 1525.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
壳聚糖
methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
Also Known As: Chitosan, Poliglusam, Deacetylchitin, Chicol, Flonac C
| Molecular Formula | C56H103N9O39 |
|---|---|
| Molecular Weight | 1525.64 g/mol |
| LogP | -21.4 |
| Topological Polar Surface Area | 808.0 Ų |
| Hydrogen Bond Donors | 29 |
| Hydrogen Bond Acceptors | 47 |
| Rotatable Bonds | 27 |
| Exact Mass | 1525.6353 |
| Heavy Atoms | 104 |
| Complexity | 2630.0 |
Chemical Identifiers
| CAS Number | 9012-76-4 |
|---|---|
| SMILES | COC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O |
| InChIKey | FLASNYPZGWUPSU-SICDJOISSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
壳聚糖 (CAS 9012-76-4), with molecular formula C56H103N9O39 and molecular weight 1525.64 g/mol. IUPAC: methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.
Chemical Property Profile of 壳聚糖
Property Insights of 壳聚糖
The XLogP value of -21.4 indicates that 壳聚糖 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 808.0 Ų indicates high polarity, suggesting 壳聚糖 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 壳聚糖 has 29 hydrogen bond donor(s) and 47 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 壳聚糖?
The CAS number of 壳聚糖 is 9012-76-4.
What is the molecular formula of 壳聚糖?
The molecular formula of 壳聚糖 is C56H103N9O39.
What is the molecular weight of 壳聚糖?
The molecular weight of 壳聚糖 is 1525.64 g/mol.
Where can I buy 壳聚糖?
You can request a quote for 壳聚糖 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 壳聚糖?
Yes, KEHONG BIO provides custom synthesis services for 壳聚糖 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.