Colistinmethanesulfonic acid
TL;DR: Colistinmethanesulfonic acid (CAS 12705-52-1) is a chemical compound with molecular formula C58H105N16Na5O28S5 and molecular weight 1748.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;[2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfonatomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfonatomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11,14-bis[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonate
Also Known As: Colistimethate sodium, Colistimethate, Colimycin M, Colimyscine, Colimicina
| Molecular Formula | C58H105N16Na5O28S5 |
|---|---|
| Molecular Weight | 1748.54 g/mol |
| LogP | -24.7534 |
| Topological Polar Surface Area | 749.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 39 |
| Exact Mass | 1748.5376 |
| Heavy Atoms | 112 |
| Complexity | 3430.0 |
Chemical Identifiers
| CAS Number | 12705-52-1 |
|---|---|
| SMILES | CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | IQWHCHZFYPIVRV-UHFFFAOYSA-I |
Product Overview
Colistinmethanesulfonic acid (CAS 12705-52-1), with molecular formula C58H105N16Na5O28S5 and molecular weight 1748.54 g/mol. IUPAC: pentasodium;[2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfonatomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfonatomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11,14-bis[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonate.
Chemical Property Profile of Colistinmethanesulfonic acid
Property Insights of Colistinmethanesulfonic acid
The XLogP value of -24.7534 indicates that Colistinmethanesulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 749.0 Ų indicates high polarity, suggesting Colistinmethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Colistinmethanesulfonic acid has 18 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Colistinmethanesulfonic acid?
The CAS number of Colistinmethanesulfonic acid is 12705-52-1.
What is the molecular formula of Colistinmethanesulfonic acid?
The molecular formula of Colistinmethanesulfonic acid is C58H105N16Na5O28S5.
What is the molecular weight of Colistinmethanesulfonic acid?
The molecular weight of Colistinmethanesulfonic acid is 1748.54 g/mol.
Where can I buy Colistinmethanesulfonic acid?
You can request a quote for Colistinmethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Colistinmethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Colistinmethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.