Misakinolide A
TL;DR: Misakinolide A (CAS 105304-96-9) is a chemical compound with molecular formula C74H128O20 and molecular weight 1336.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C74H128O20 |
|---|---|
| Molecular Weight | 1336.90 g/mol |
| LogP | 8.9958 |
| Topological Polar Surface Area | 288.28 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Exact Mass | 1336.8999 |
| Heavy Atoms | 94 |
| Complexity | 2159.2388 |
Chemical Identifiers
| CAS Number | 105304-96-9 |
|---|---|
| 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 |
Product Overview
Misakinolide A (CAS 105304-96-9), with molecular formula C74H128O20 and molecular weight 1336.90 g/mol. IUPAC: (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.
Chemical Property Profile of Misakinolide A
Property Insights of Misakinolide A
The XLogP value of 8.9958 indicates that Misakinolide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.28 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
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 1336.90 g/mol.
Where can I buy Misakinolide A?
You can request a quote for Misakinolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Misakinolide A?
Yes, KEHONG BIO provides custom synthesis services for Misakinolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.