Misakinolide A
TL;DR: Misakinolide A (CAS 105304-96-9) is a chemical compound with molecular formula C74H128O20 and molecular weight 1336.8999 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,3S,5E,9S,10S,11R,13S,14S,15S,17S,21R,23S,25E,29S,30S,31R,33S,34S,35S,37S)-3,11,13,23,31,33-hexahydroxy-9,29-bis[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-15,35-dimethoxy-6,10,14,26,30,34-hexamethyl-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-5,19,25,39-tetraene-7,27-dione
Also Known As: Bistheonellide A, Misakinolide A, MISAKINOLID A, (1R,3S,5E,9S,10S,11R,13S,14S,15S,17S,21R,23S,25E,29S,30S,31R,33S,34S,35S,37S)-3,11,13,23,31,33-hexahydroxy-9,29-bis[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-15,35-dimethoxy-6,10,14,26,30,34-hexamethyl-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-5,19,25,39-tetraene-7,27-dione, (1~2~R,1~6~S,3S,5E,9S,10S,11R,13S,14S,15S,17~2~S,17~6~R,19S,21E,25S,26S,27R,29S,30S,31S)-3,11,13,19,27,29-Hexahydroxy-9,25-bis{(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl}-15,31-dimethoxy-6,10,14,22,26,30-hexamethyl-1~5~,1~6~,17~3~,17~6~-tetrahydro-1~2~H,17~2~H-8,24-dioxa-1,17(2,6)-dipyranacyclodotriacontaphane-5,21-diene-7,23-dione
Technical Specifications
| Molecular Formula | C74H128O20 |
| Molecular Weight | 1336.8999 g/mol |
| XLogP | 9.9 |
| Topological Polar Surface Area (TPSA) | 288.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Exact Mass | 1336.8999 Da |
| Heavy Atoms | 94 |
| Complexity | 2160.0 |
| SMILES | C[C@@H]1O[C@H](C[C@@H](C1)OC)CC[C@@H]([C@H](O)[C@@H]([C@H]2OC(=O)/C(=C/C[C@@H](C[C@H]3O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]([C@H](OC(=O)/C(=C/C[C@@H](C[C@H]4O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]2C)O)O)C)OC)CC=C4)O)/C)[C@H]([C@@H](O)[C@H](CC[C@@H]5O[C@H](C[C@H](C5)OC)C)C)C)C)O)O)C)OC)CC=C3)O)/C)C)C |
| InChIKey | CNXAVQHYRALFDY-VIPNGKGCSA-N |
Chemical Property Profile of Misakinolide A
Property Insights of Misakinolide A
The XLogP value of 9.9 indicates that Misakinolide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.0 Ų indicates high polarity, suggesting Misakinolide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Misakinolide A has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Misakinolide A?
The CAS number of Misakinolide A is 105304-96-9.
What is the molecular formula of Misakinolide A?
The molecular formula of Misakinolide A is C74H128O20.
What is the molecular weight of Misakinolide A?
The molecular weight of Misakinolide A is 1336.8999 g/mol.
Where can I buy Misakinolide A?
You can request a quote for Misakinolide A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Misakinolide A?
Yes, CoreyChem provides custom synthesis services for Misakinolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.