beta-D-cellohexaose
TL;DR: beta-D-cellohexaose (CAS 2478-35-5) is a chemical compound with molecular formula C36H62O31 and molecular weight 990.33 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)-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-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Cellohexaose, beta-D-cellohexaose, D(+)-Cellohexaose, GlyTouCan:G09454VW, G09454VW
| Molecular Formula | C36H62O31 |
|---|---|
| Molecular Weight | 990.33 g/mol |
| LogP | -13.3 |
| Topological Polar Surface Area | 506.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 16 |
| Exact Mass | 990.3275 |
| Heavy Atoms | 67 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 2478-35-5 |
|---|---|
| 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)CO)CO)CO)CO)CO)O)O)O)O |
| InChIKey | OCIBBXPLUVYKCH-FYTDUCIRSA-N |
Product Overview
beta-D-cellohexaose (CAS 2478-35-5), with molecular formula C36H62O31 and molecular weight 990.33 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)-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-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of beta-D-cellohexaose
Property Insights of beta-D-cellohexaose
The XLogP value of -13.3 indicates that beta-D-cellohexaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 506.0 Ų indicates high polarity, suggesting beta-D-cellohexaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-cellohexaose 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 beta-D-cellohexaose?
The CAS number of beta-D-cellohexaose is 2478-35-5.
What is the molecular formula of beta-D-cellohexaose?
The molecular formula of beta-D-cellohexaose is C36H62O31.
What is the molecular weight of beta-D-cellohexaose?
The molecular weight of beta-D-cellohexaose is 990.33 g/mol.
Where can I buy beta-D-cellohexaose?
You can request a quote for beta-D-cellohexaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-cellohexaose?
Yes, KEHONG BIO provides custom synthesis services for beta-D-cellohexaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.