A-Admaadda-M-lhar
TL;DR: A-Admaadda-M-lhar (CAS 141663-36-7) is a chemical compound with molecular formula C50H74N10O13 and molecular weight 1022.5437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[4-(diaminomethylideneamino)butyl]-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: A-Admaadda-M-lhar, [D-Asp3,ADMAdda5]MC-LHar, (Asp(3)-admaadda(5))microcystin-lhar, (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[4-(diaminomethylideneamino)butyl]-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, 4-D-beta-Aspartic acid-5-(N6-(aminoiminomethyl)-L-lysin)-6-((2S,4E,6E,8S,9S)-9-(acetyloxy)-4,5,6,7-tetradehydro-2,6,8-trimethyl-10-phenyl-L-3-aminodecanoic acid)cyanoginosin LA
Technical Specifications
| Molecular Formula | C50H74N10O13 |
| Molecular Weight | 1022.5437 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 360.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 1022.5437 Da |
| Heavy Atoms | 73 |
| Complexity | 2080.0 |
| 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)CCCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC(=O)C)/C |
| InChIKey | WJEBNDAWEAQNLR-KDMHZOGOSA-N |
Chemical Property Profile of A-Admaadda-M-lhar
Property Insights of A-Admaadda-M-lhar
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A-Admaadda-M-lhar. The TPSA of 360.0 Ų indicates high polarity, suggesting A-Admaadda-M-lhar may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A-Admaadda-M-lhar has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of A-Admaadda-M-lhar?
The CAS number of A-Admaadda-M-lhar is 141663-36-7.
What is the molecular formula of A-Admaadda-M-lhar?
The molecular formula of A-Admaadda-M-lhar is C50H74N10O13.
What is the molecular weight of A-Admaadda-M-lhar?
The molecular weight of A-Admaadda-M-lhar is 1022.5437 g/mol.
Where can I buy A-Admaadda-M-lhar?
You can request a quote for A-Admaadda-M-lhar directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for A-Admaadda-M-lhar?
Yes, CoreyChem provides custom synthesis services for A-Admaadda-M-lhar and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.