3,7-Didesmethylmicrocystin LR
TL;DR: 3,7-Didesmethylmicrocystin LR (CAS 126268-88-0) is a chemical compound with molecular formula C47H70N10O12 and molecular weight 966.51746 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]-5,19-dimethyl-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: 3,7-Didesmethylmicrocystin LR, [D-Asp3,Dha7]MC-LR, 3,7-Ddmc LR, (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]-5,19-dimethyl-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, Cyclo(2,3-didehydroalanyl-D-alanyl-L-leucyl-D-beta-aspartyl-L-arginyl-(2S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-L-3-aminodecanoyl-D-gamma-glutamyl)
Technical Specifications
| Molecular Formula | C47H70N10O12 |
| Molecular Weight | 966.51746 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 352.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 966.51746 Da |
| Heavy Atoms | 69 |
| Complexity | 1930.0 |
| 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)NC(=O)CC[C@@H](NC1=O)C(=O)O)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 | PENYTKSZIDPONS-NGLWDUFTSA-N |
Chemical Property Profile of 3,7-Didesmethylmicrocystin LR
Property Insights of 3,7-Didesmethylmicrocystin LR
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Didesmethylmicrocystin LR. The TPSA of 352.0 Ų indicates high polarity, suggesting 3,7-Didesmethylmicrocystin LR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7-Didesmethylmicrocystin LR has 11 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 3,7-Didesmethylmicrocystin LR?
The CAS number of 3,7-Didesmethylmicrocystin LR is 126268-88-0.
What is the molecular formula of 3,7-Didesmethylmicrocystin LR?
The molecular formula of 3,7-Didesmethylmicrocystin LR is C47H70N10O12.
What is the molecular weight of 3,7-Didesmethylmicrocystin LR?
The molecular weight of 3,7-Didesmethylmicrocystin LR is 966.51746 g/mol.
Where can I buy 3,7-Didesmethylmicrocystin LR?
You can request a quote for 3,7-Didesmethylmicrocystin LR directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Didesmethylmicrocystin LR?
Yes, CoreyChem provides custom synthesis services for 3,7-Didesmethylmicrocystin LR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.