TL;DR: Spinosyn B (CAS 131929-61-8) is a chemical compound with molecular formula C40H63NO10 and molecular weight 717.4452 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-14-methyl-15-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Also Known As: Spinosyn B, Spinosad metabolite, A-83543B, A 83543B, (1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-14-methyl-15-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
| Molecular Formula | C40H63NO10 |
| Molecular Weight | 717.4452 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 717.4452 Da |
| Heavy Atoms | 51 |
| Complexity | 1260.0 |
| SMILES | CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)NC |
| InChIKey | VESRDXZDAAOUHS-KXRJSVEISA-N |
The XLogP value of 4.5 indicates that Spinosyn B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spinosyn B. Following Lipinski's Rule of Five, Spinosyn B has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Spinosyn B is 131929-61-8.
The molecular formula of Spinosyn B is C40H63NO10.
The molecular weight of Spinosyn B is 717.4452 g/mol.
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