Microcystin LL
TL;DR: Microcystin LL (CAS 154037-67-9) is a chemical compound with molecular formula C49H73N7O12 and molecular weight 951.53174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8,15-bis(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 LL, Microcystin-LL, (8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8,15-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid, 18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylidene-8,15-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
Technical Specifications
| Molecular Formula | C49H73N7O12 |
| Molecular Weight | 951.53174 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 279.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 951.53174 Da |
| Heavy Atoms | 68 |
| Complexity | 1880.0 |
| SMILES | C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC(C)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C |
| InChIKey | GLDUYXHQWLQPRR-IIERUUKBSA-N |
Chemical Property Profile of Microcystin LL
Property Insights of Microcystin LL
The XLogP value of 4.8 indicates that Microcystin LL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting Microcystin LL may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Microcystin LL has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Microcystin LL?
The CAS number of Microcystin LL is 154037-67-9.
What is the molecular formula of Microcystin LL?
The molecular formula of Microcystin LL is C49H73N7O12.
What is the molecular weight of Microcystin LL?
The molecular weight of Microcystin LL is 951.53174 g/mol.
Where can I buy Microcystin LL?
You can request a quote for Microcystin LL directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Microcystin LL?
Yes, CoreyChem provides custom synthesis services for Microcystin LL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.