Tetra-o-(beta-hydroxyethyl)rutoside
TL;DR: Tetra-o-(beta-hydroxyethyl)rutoside (CAS 90254-11-8) is a chemical compound with molecular formula C35H46O20 and molecular weight 786.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Tetra(hydroxyethyl)rutoside, Troxerutin Impurity 1, TETRAHER, Tetra-O-(beta-hydroxyethyl)rutoside, Z 1200 (flavone)
| Molecular Formula | C35H46O20 |
|---|---|
| Molecular Weight | 786.26 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 302.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Exact Mass | 786.25824 |
| Heavy Atoms | 55 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 90254-11-8 |
|---|---|
| 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)OC3=C(OC4=C(C3=O)C(=CC(=C4)OCCO)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O |
| InChIKey | OHHXJHPHUFVCPR-XQZWLAGVSA-N |
Product Overview
Tetra-o-(beta-hydroxyethyl)rutoside (CAS 90254-11-8), with molecular formula C35H46O20 and molecular weight 786.26 g/mol. IUPAC: 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5,7-bis(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Tetra-o-(beta-hydroxyethyl)rutoside
Property Insights of Tetra-o-(beta-hydroxyethyl)rutoside
The XLogP value of -3.3 indicates that Tetra-o-(beta-hydroxyethyl)rutoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 302.0 Ų indicates high polarity, suggesting Tetra-o-(beta-hydroxyethyl)rutoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetra-o-(beta-hydroxyethyl)rutoside has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetra-o-(beta-hydroxyethyl)rutoside?
The CAS number of Tetra-o-(beta-hydroxyethyl)rutoside is 90254-11-8.
What is the molecular formula of Tetra-o-(beta-hydroxyethyl)rutoside?
The molecular formula of Tetra-o-(beta-hydroxyethyl)rutoside is C35H46O20.
What is the molecular weight of Tetra-o-(beta-hydroxyethyl)rutoside?
The molecular weight of Tetra-o-(beta-hydroxyethyl)rutoside is 786.26 g/mol.
Where can I buy Tetra-o-(beta-hydroxyethyl)rutoside?
You can request a quote for Tetra-o-(beta-hydroxyethyl)rutoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetra-o-(beta-hydroxyethyl)rutoside?
Yes, KEHONG BIO provides custom synthesis services for Tetra-o-(beta-hydroxyethyl)rutoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.