Chitohexaose
TL;DR: Chitohexaose (CAS 41708-95-6) is a chemical compound with molecular formula C36H68N6O25 and molecular weight 984.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4R,5S,6R)-3-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-bis[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
Also Known As: Chitohexaose, (2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4R,5S,6R)-3-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-bis[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol, D-Glucopyranose, O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-amino-2-deoxy-, (2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4R,5S,6R)-3-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-bis[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxym, 2-Amino-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-amino-2-deoxy-beta-D-glucopyranosyl 2-amino-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)]-[2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-amino-2-deoxy-beta-D-glucopyranoside
| Molecular Formula | C36H68N6O25 |
|---|---|
| Molecular Weight | 984.42 g/mol |
| LogP | -14.302 |
| Topological Polar Surface Area | 540.87 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 16 |
| Exact Mass | 984.4234 |
| Heavy Atoms | 67 |
| Complexity | 1523.3784 |
Chemical Identifiers
| CAS Number | 41708-95-6 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)N)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)N)N)O)O)O |
Product Overview
Chitohexaose (CAS 41708-95-6), with molecular formula C36H68N6O25 and molecular weight 984.42 g/mol. IUPAC: (2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4R,5S,6R)-3-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-bis[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol.
Chemical Property Profile of Chitohexaose
Property Insights of Chitohexaose
The XLogP value of -14.302 indicates that Chitohexaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 540.87 Ų indicates high polarity, suggesting Chitohexaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chitohexaose has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chitohexaose?
The CAS number of Chitohexaose is 41708-95-6.
What is the molecular formula of Chitohexaose?
The molecular formula of Chitohexaose is C36H68N6O25.
What is the molecular weight of Chitohexaose?
The molecular weight of Chitohexaose is 984.42 g/mol.
Where can I buy Chitohexaose?
You can request a quote for Chitohexaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chitohexaose?
Yes, KEHONG BIO provides custom synthesis services for Chitohexaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.