Celloheptaose
TL;DR: Celloheptaose (CAS 52646-27-2) is a chemical compound with molecular formula C42H72O36 and molecular weight 1152.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Celloheptaose, D-Celloheptaose, GlyTouCan:G73749NK, G73749NK, (2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6S)-6-((2R,3S,4R,5R,6S)-6-((2R,3S,4R,5R,6S)-6-((2R,3S,4R,5R,6S)-6-((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl)oxy-tetrahydropyran-3-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl)oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C42H72O36 |
|---|---|
| Molecular Weight | 1152.38 g/mol |
| LogP | -15.5 |
| Topological Polar Surface Area | 585.0 Ų |
| Hydrogen Bond Donors | 23 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 19 |
| Exact Mass | 1152.3804 |
| Heavy Atoms | 78 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 52646-27-2 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O |
| InChIKey | BNABBHGYYMZMOA-IIXPINMKSA-N |
Product Overview
Celloheptaose (CAS 52646-27-2), with molecular formula C42H72O36 and molecular weight 1152.38 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Celloheptaose
Property Insights of Celloheptaose
The XLogP value of -15.5 indicates that Celloheptaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 585.0 Ų indicates high polarity, suggesting Celloheptaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Celloheptaose 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 Celloheptaose?
The CAS number of Celloheptaose is 52646-27-2.
What is the molecular formula of Celloheptaose?
The molecular formula of Celloheptaose is C42H72O36.
What is the molecular weight of Celloheptaose?
The molecular weight of Celloheptaose is 1152.38 g/mol.
Where can I buy Celloheptaose?
You can request a quote for Celloheptaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Celloheptaose?
Yes, KEHONG BIO provides custom synthesis services for Celloheptaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.