Sulfoevernan
TL;DR: Sulfoevernan (CAS 52108-89-1) is a chemical compound with molecular formula C32H51O41S5-5 and molecular weight 1251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6S)-3,4-dihydroxy-5-(hydroxymethyl)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl sulfate
Also Known As: Sulfoevernan, Sulphoevernan, [(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6S)-3,4-dihydroxy-5-(hydroxymethyl)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl sulfate, [(2r,3r,4s,5r,6r)-6-[(2r,3r,4s,5r,6r)-2-[(2r,3s,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-4-[(2r,3r,4s,5r,6r)-4-[(2r,3r,4r,5s,6s)-3,4-dihydroxy-5-(hydroxymethyl)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl sulfate
| Molecular Formula | C32H51O41S5-5 |
|---|---|
| Molecular Weight | 1251.05 g/mol |
| LogP | -14.212 |
| Topological Polar Surface Area | 657.98 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 41 |
| Rotatable Bonds | 25 |
| Exact Mass | 1251.0509 |
| Heavy Atoms | 78 |
| Complexity | 2505.8977 |
Chemical Identifiers
| CAS Number | 52108-89-1 |
|---|---|
| SMILES | C([C@@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[C@H]3[C@@H]([C@H](O[C@@H]([C@@H]3O)O[C@H]4[C@@H]([C@H](O[C@@H]([C@@H]4O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@@H]5O)O)CO)COS(=O)(=O)[O-])COS(=O)(=O)[O-])O)COS(=O)(=O)[O-])O)COS(=O)(=O)[O-])O)COS(=O)(=O)[O-])O |
Product Overview
Sulfoevernan (CAS 52108-89-1), with molecular formula C32H51O41S5-5 and molecular weight 1251.05 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5S,6S)-3,4-dihydroxy-5-(hydroxymethyl)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl sulfate.
Chemical Property Profile of Sulfoevernan
Property Insights of Sulfoevernan
The XLogP value of -14.212 indicates that Sulfoevernan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 657.98 Ų indicates high polarity, suggesting Sulfoevernan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfoevernan has 12 hydrogen bond donor(s) and 41 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfoevernan?
The CAS number of Sulfoevernan is 52108-89-1.
What is the molecular formula of Sulfoevernan?
The molecular formula of Sulfoevernan is C32H51O41S5-5.
What is the molecular weight of Sulfoevernan?
The molecular weight of Sulfoevernan is 1251.05 g/mol.
Where can I buy Sulfoevernan?
You can request a quote for Sulfoevernan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfoevernan?
Yes, KEHONG BIO provides custom synthesis services for Sulfoevernan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.