Cationomycin
TL;DR: Cationomycin (CAS 80394-65-6) is a chemical compound with molecular formula C45H70O15 and molecular weight 850.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[7-hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,3,8-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylbutanoic acid
Also Known As: Cationomycin, 2-hydroxy-4-[7-hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,3,8-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylbutanoic acid, 2-hydroxy-4-[7-hydroxy-3-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,3,8-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylbutanoic acid, Monensin, 21,25-deepoxy-16-deethyl-25-de(hydroxymethyl)-3-O-demethyl-21,24-epoxy-25-ethyl-2-hydroxy-3-O-(2-hydroxy-4-methoxy-6-methylbenzoyl)-15-methoxy-16-methyl-, (15S,24S,25R)-
| Molecular Formula | C45H70O15 |
|---|---|
| Molecular Weight | 850.47 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 850.4715 |
| Heavy Atoms | 60 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 80394-65-6 |
|---|---|
| SMILES | CC[C@@H]([C@@]1(C[C@@H]([C@H](O1)[C@H]2C[C@@H]([C@@H](O2)[C@@]3([C@H](CC(O3)C4(C(CC5(O4)CC(C(C(O5)CC(C(C)(C(=O)O)O)OC(=O)C6=C(C=C(C=C6C)OC)O)C)O)C)C)OC)C)C)C)C)O |
| InChIKey | SGLQOFJJLQBZBE-MSFHLGAUSA-N |
Product Overview
Cationomycin (CAS 80394-65-6), with molecular formula C45H70O15 and molecular weight 850.47 g/mol. IUPAC: 2-hydroxy-4-[7-hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,3,8-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylbutanoic acid.
Chemical Property Profile of Cationomycin
Property Insights of Cationomycin
The XLogP value of 5.6 indicates that Cationomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting Cationomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cationomycin has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cationomycin?
The CAS number of Cationomycin is 80394-65-6.
What is the molecular formula of Cationomycin?
The molecular formula of Cationomycin is C45H70O15.
What is the molecular weight of Cationomycin?
The molecular weight of Cationomycin is 850.47 g/mol.
Where can I buy Cationomycin?
You can request a quote for Cationomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cationomycin?
Yes, KEHONG BIO provides custom synthesis services for Cationomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.