Gambiertoxin 4b
TL;DR: Gambiertoxin 4b (CAS 123676-76-6) is a chemical compound with molecular formula C60H84O16 and molecular weight 1060.5759 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,3S,6R,8S,10R,12S,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E)-buta-1,3-dienyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol
Also Known As: Gambiertoxin 4b, Ciguatoxin 4B, Scaritoxin, 52-epi-Ciguatoxin 4A, GTX 4b
Technical Specifications
| Molecular Formula | C60H84O16 |
| Molecular Weight | 1060.5759 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 2 |
| Exact Mass | 1060.5759 Da |
| Heavy Atoms | 76 |
| Complexity | 2240.0 |
| SMILES | C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)CCCO5)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C\C[C@@H]9[C@@H](O8)C=C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)CC=CC(O3)/C=C/C=C)O)O)(O[C@@H]6C1)C |
| InChIKey | QFYRPKKCVYDHFZ-AEAYZDHWSA-N |
Chemical Property Profile of Gambiertoxin 4b
Property Insights of Gambiertoxin 4b
The XLogP value of 5.7 indicates that Gambiertoxin 4b is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Gambiertoxin 4b may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gambiertoxin 4b has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gambiertoxin 4b?
The CAS number of Gambiertoxin 4b is 123676-76-6.
What is the molecular formula of Gambiertoxin 4b?
The molecular formula of Gambiertoxin 4b is C60H84O16.
What is the molecular weight of Gambiertoxin 4b?
The molecular weight of Gambiertoxin 4b is 1060.5759 g/mol.
Where can I buy Gambiertoxin 4b?
You can request a quote for Gambiertoxin 4b directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gambiertoxin 4b?
Yes, CoreyChem provides custom synthesis services for Gambiertoxin 4b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.