Hepta-N-acetylchitoheptaose
TL;DR: Hepta-N-acetylchitoheptaose (CAS 79127-58-5) is a chemical compound with molecular formula C56H93N7O36 and molecular weight 1439.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: Hepta-N-acetylchitoheptaose, (Glcnac)7, N-ACETYLCHITOHEPTAOSE, N,N,N,N,N,N,N-Heptaacetylchitoheptaose, J1.282.259F
| Molecular Formula | C56H93N7O36 |
|---|---|
| Molecular Weight | 1439.57 g/mol |
| LogP | -15.8 |
| Topological Polar Surface Area | 655.0 Ų |
| Hydrogen Bond Donors | 23 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 30 |
| Exact Mass | 1439.5662 |
| Heavy Atoms | 99 |
| Complexity | 2670.0 |
Chemical Identifiers
| CAS Number | 79127-58-5 |
|---|---|
| SMILES | CC(=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)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)CO)CO)CO)CO)O)O |
| InChIKey | UKZKHAFAYSQVFL-MBGZTGDNSA-N |
Product Overview
Hepta-N-acetylchitoheptaose (CAS 79127-58-5), with molecular formula C56H93N7O36 and molecular weight 1439.57 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)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 Hepta-N-acetylchitoheptaose
Property Insights of Hepta-N-acetylchitoheptaose
The XLogP value of -15.8 indicates that Hepta-N-acetylchitoheptaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 655.0 Ų indicates high polarity, suggesting Hepta-N-acetylchitoheptaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hepta-N-acetylchitoheptaose has 23 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hepta-N-acetylchitoheptaose?
The CAS number of Hepta-N-acetylchitoheptaose is 79127-58-5.
What is the molecular formula of Hepta-N-acetylchitoheptaose?
The molecular formula of Hepta-N-acetylchitoheptaose is C56H93N7O36.
What is the molecular weight of Hepta-N-acetylchitoheptaose?
The molecular weight of Hepta-N-acetylchitoheptaose is 1439.57 g/mol.
Where can I buy Hepta-N-acetylchitoheptaose?
You can request a quote for Hepta-N-acetylchitoheptaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hepta-N-acetylchitoheptaose?
Yes, KEHONG BIO provides custom synthesis services for Hepta-N-acetylchitoheptaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.