Microcystin LA
TL;DR: Microcystin LA (CAS 96180-79-9) is a chemical compound with molecular formula C46H67N7O12 and molecular weight 909.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Also Known As: Microcystin-LA, Microcystin LA, Cyanoginosin LA, Cyanoginosin-LA, Cyanogynosin-LA
| Molecular Formula | C46H67N7O12 |
|---|---|
| Molecular Weight | 909.48 g/mol |
| LogP | 1.5847 |
| Topological Polar Surface Area | 278.74 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 909.48474 |
| Heavy Atoms | 65 |
| Complexity | 1968.8694 |
Chemical Identifiers
| CAS Number | 96180-79-9 |
|---|---|
| SMILES | C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C |
Product Overview
Microcystin LA (CAS 96180-79-9), with molecular formula C46H67N7O12 and molecular weight 909.48 g/mol. IUPAC: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid.
Chemical Property Profile of Microcystin LA
Property Insights of Microcystin LA
The XLogP value of 1.5847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Microcystin LA. The TPSA of 278.74 Ų indicates high polarity, suggesting Microcystin LA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Microcystin LA has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Microcystin LA?
The CAS number of Microcystin LA is 96180-79-9.
What is the molecular formula of Microcystin LA?
The molecular formula of Microcystin LA is C46H67N7O12.
What is the molecular weight of Microcystin LA?
The molecular weight of Microcystin LA is 909.48 g/mol.
Where can I buy Microcystin LA?
You can request a quote for Microcystin LA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Microcystin LA?
Yes, KEHONG BIO provides custom synthesis services for Microcystin LA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.