1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose
TL;DR: 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose (CAS 72691-29-3) is a chemical compound with molecular formula C28H38O19 and molecular weight 678.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[(3,4,5,6-tetraacetyloxyoxan-2-yl)methoxy]oxan-2-yl]methyl acetate
Also Known As: Melibiose peracetate, gentiobiose octaacetate, b-Gentiobiose octaacetate, Beta-gentiobiose octaacetate, KST-1B5305
| Molecular Formula | C28H38O19 |
|---|---|
| Molecular Weight | 678.20 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Exact Mass | 678.20074 |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 72691-29-3 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | GNTLGGDVHFXGLI-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose (CAS 72691-29-3), with molecular formula C28H38O19 and molecular weight 678.20 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[(3,4,5,6-tetraacetyloxyoxan-2-yl)methoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose
Property Insights of 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose. The TPSA of 238.0 Ų indicates high polarity, suggesting 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose?
The CAS number of 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose is 72691-29-3.
What is the molecular formula of 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose?
The molecular formula of 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose is C28H38O19.
What is the molecular weight of 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose?
The molecular weight of 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose is 678.20 g/mol.
Where can I buy 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose?
You can request a quote for 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.