Rutinose heptaacetylrutinose
TL;DR: Rutinose heptaacetylrutinose (CAS 5239-09-8) is a chemical compound with molecular formula C26H36O17 and molecular weight 620.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-3-yl] acetate
Also Known As: Rutinose heptaacetylrutinose, beta-Heptaacetylrutinose, RUTINOSE, HEPTAACETATE, .BETA.-HEPTAACETYLRUTINOSE, RUTINOSE HEPTAACETYLRUTINOSE [MI]
| Molecular Formula | C26H36O17 |
|---|---|
| Molecular Weight | 620.20 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 17 |
| Exact Mass | 620.19525 |
| Heavy Atoms | 43 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 5239-09-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | LUCVIXHBPBCYCD-ZDOYKWLUSA-N |
Product Overview
Rutinose heptaacetylrutinose (CAS 5239-09-8), with molecular formula C26H36O17 and molecular weight 620.20 g/mol. IUPAC: [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-3-yl] acetate.
Chemical Property Profile of Rutinose heptaacetylrutinose
Property Insights of Rutinose heptaacetylrutinose
The XLogP value of -0.2 indicates that Rutinose heptaacetylrutinose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.0 Ų indicates high polarity, suggesting Rutinose heptaacetylrutinose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rutinose heptaacetylrutinose has 0 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rutinose heptaacetylrutinose?
The CAS number of Rutinose heptaacetylrutinose is 5239-09-8.
What is the molecular formula of Rutinose heptaacetylrutinose?
The molecular formula of Rutinose heptaacetylrutinose is C26H36O17.
What is the molecular weight of Rutinose heptaacetylrutinose?
The molecular weight of Rutinose heptaacetylrutinose is 620.20 g/mol.
Where can I buy Rutinose heptaacetylrutinose?
You can request a quote for Rutinose heptaacetylrutinose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rutinose heptaacetylrutinose?
Yes, KEHONG BIO provides custom synthesis services for Rutinose heptaacetylrutinose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.