4,6-O-3-ketobutylidene maltopentaose
TL;DR: 4,6-O-3-ketobutylidene maltopentaose (CAS 145932-53-2) is a chemical compound with molecular formula C34H56O27 and molecular weight 896.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-oxopropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
Also Known As: 3KB-G5, 4,6-O-3-Ketobutylidene maltopentaose, (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-oxopropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal, D-Glucose, O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-, (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-oxopropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxym
| Molecular Formula | C34H56O27 |
|---|---|
| Molecular Weight | 896.30 g/mol |
| LogP | -10.7146 |
| Topological Polar Surface Area | 429.89 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 18 |
| Exact Mass | 896.3009 |
| Heavy Atoms | 61 |
| Complexity | 1375.1906 |
Chemical Identifiers
| CAS Number | 145932-53-2 |
|---|---|
| SMILES | CC(=O)CC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)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]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)CO)O)O |
Product Overview
4,6-O-3-ketobutylidene maltopentaose (CAS 145932-53-2), with molecular formula C34H56O27 and molecular weight 896.30 g/mol. IUPAC: (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-oxopropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal.
Chemical Property Profile of 4,6-O-3-ketobutylidene maltopentaose
Property Insights of 4,6-O-3-ketobutylidene maltopentaose
The XLogP value of -10.7146 indicates that 4,6-O-3-ketobutylidene maltopentaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 429.89 Ų indicates high polarity, suggesting 4,6-O-3-ketobutylidene maltopentaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-O-3-ketobutylidene maltopentaose has 15 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-O-3-ketobutylidene maltopentaose?
The CAS number of 4,6-O-3-ketobutylidene maltopentaose is 145932-53-2.
What is the molecular formula of 4,6-O-3-ketobutylidene maltopentaose?
The molecular formula of 4,6-O-3-ketobutylidene maltopentaose is C34H56O27.
What is the molecular weight of 4,6-O-3-ketobutylidene maltopentaose?
The molecular weight of 4,6-O-3-ketobutylidene maltopentaose is 896.30 g/mol.
Where can I buy 4,6-O-3-ketobutylidene maltopentaose?
You can request a quote for 4,6-O-3-ketobutylidene maltopentaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-O-3-ketobutylidene maltopentaose?
Yes, KEHONG BIO provides custom synthesis services for 4,6-O-3-ketobutylidene maltopentaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.