Liga 20
TL;DR: Liga 20 (CAS 126586-85-4) is a chemical compound with molecular formula C57H97Cl2N3O31 and molecular weight 1389.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[6-[2-[(2,2-dichloroacetyl)amino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Also Known As: Liga 20
| Molecular Formula | C57H97Cl2N3O31 |
|---|---|
| Molecular Weight | 1389.55 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 541.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 37 |
| Exact Mass | 1389.5483 |
| Heavy Atoms | 93 |
| Complexity | 2280.0 |
Chemical Identifiers
| CAS Number | 126586-85-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)C(Cl)Cl)O |
| InChIKey | CQCBGDOXLXRPIU-UHFFFAOYSA-N |
Product Overview
Liga 20 (CAS 126586-85-4), with molecular formula C57H97Cl2N3O31 and molecular weight 1389.55 g/mol. IUPAC: 5-acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[6-[2-[(2,2-dichloroacetyl)amino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.
Chemical Property Profile of Liga 20
Property Insights of Liga 20
The XLogP value of -3.1 indicates that Liga 20 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 541.0 Ų indicates high polarity, suggesting Liga 20 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Liga 20 has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Liga 20?
The CAS number of Liga 20 is 126586-85-4.
What is the molecular formula of Liga 20?
The molecular formula of Liga 20 is C57H97Cl2N3O31.
What is the molecular weight of Liga 20?
The molecular weight of Liga 20 is 1389.55 g/mol.
Where can I buy Liga 20?
You can request a quote for Liga 20 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Liga 20?
Yes, KEHONG BIO provides custom synthesis services for Liga 20 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.