Toxin II, cyanobacterium
TL;DR: Toxin II, cyanobacterium (CAS 120011-66-7) is a chemical compound with molecular formula C48H72N10O12 and molecular weight 980.53314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-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: Toxin II, cyanobacterium, [D-Asp3]MC-LR, Asp3-Microcystin LR, [D-Asp3]-Microcystin-LR, Microcystin-[D-Asp3]-LR
Technical Specifications
| Molecular Formula | C48H72N10O12 |
| Molecular Weight | 980.53314 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 343.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 980.53314 Da |
| Heavy Atoms | 70 |
| Complexity | 1960.0 |
| SMILES | C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)C[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)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C |
| InChIKey | VYEBKSHVYPDMQQ-MREVJOSWSA-N |
Chemical Property Profile of Toxin II, cyanobacterium
Property Insights of Toxin II, cyanobacterium
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toxin II, cyanobacterium. The TPSA of 343.0 Ų indicates high polarity, suggesting Toxin II, cyanobacterium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Toxin II, cyanobacterium has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Toxin II, cyanobacterium?
The CAS number of Toxin II, cyanobacterium is 120011-66-7.
What is the molecular formula of Toxin II, cyanobacterium?
The molecular formula of Toxin II, cyanobacterium is C48H72N10O12.
What is the molecular weight of Toxin II, cyanobacterium?
The molecular weight of Toxin II, cyanobacterium is 980.53314 g/mol.
Where can I buy Toxin II, cyanobacterium?
You can request a quote for Toxin II, cyanobacterium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Toxin II, cyanobacterium?
Yes, CoreyChem provides custom synthesis services for Toxin II, cyanobacterium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.