Yessotoxin
TL;DR: Yessotoxin (CAS 112514-54-2) is a chemical compound with molecular formula C55H82O21S2 and molecular weight 1142.479 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate
Also Known As: Yessotoxin, YESSOTOXIN [HSDB], (+)-YESSOTOXIN, SID:144087459, Certified Calibration Solution for Yessotoxin
Technical Specifications
| Molecular Formula | C55H82O21S2 |
| Molecular Weight | 1142.479 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 286.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 1142.479 Da |
| Heavy Atoms | 78 |
| Complexity | 2540.0 |
| SMILES | C[C@H]1CC[C@]2([C@@H](C[C@H]3[C@](O2)(CC[C@H]4[C@H](O3)C[C@H]5[C@H](O4)C[C@H]6[C@H](O5)C[C@H]7[C@H](O6)C[C@@H]([C@@](O7)(C)CCOS(=O)(=O)O)OS(=O)(=O)O)C)O[C@@H]8[C@@H]1O[C@@H]9[C@@H](C8)O[C@H]1C[C@@H]2[C@H](CC(=C)[C@H](O2)[C@@](C)(/C=C/C(=C)CC=C)O)O[C@@]1([C@@H]9O)C)C |
| InChIKey | HCYDZFJGUKMTQB-AVHIVUAZSA-N |
Chemical Property Profile of Yessotoxin
Property Insights of Yessotoxin
The XLogP value of 3.4 indicates that Yessotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 286.0 Ų indicates high polarity, suggesting Yessotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yessotoxin has 4 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Yessotoxin?
The CAS number of Yessotoxin is 112514-54-2.
What is the molecular formula of Yessotoxin?
The molecular formula of Yessotoxin is C55H82O21S2.
What is the molecular weight of Yessotoxin?
The molecular weight of Yessotoxin is 1142.479 g/mol.
Where can I buy Yessotoxin?
You can request a quote for Yessotoxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Yessotoxin?
Yes, CoreyChem provides custom synthesis services for Yessotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.