Homoyessotoxin
TL;DR: Homoyessotoxin (CAS 196309-94-1) is a chemical compound with molecular formula C56H84O21S2 and molecular weight 1156.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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-(3-sulfooxypropyl)-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: Homoyessotoxin, 3-De(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)yessotoxin, Yessotoxin, 3-de(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-, [(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-(3-sulfooxypropyl)-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, Yessotoxin, 3-de[2-(sulfooxy)ethyl]-3-[3-(sulfooxy)propyl]-
| Molecular Formula | C56H84O21S2 |
|---|---|
| Molecular Weight | 1156.49 g/mol |
| LogP | 5.4497 |
| Topological Polar Surface Area | 269.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 1156.4946 |
| Heavy Atoms | 79 |
| Complexity | 2563.183 |
Chemical Identifiers
| CAS Number | 196309-94-1 |
|---|---|
| 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)CCCOS(=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 |
Product Overview
Homoyessotoxin (CAS 196309-94-1), with molecular formula C56H84O21S2 and molecular weight 1156.49 g/mol. IUPAC: [(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-(3-sulfooxypropyl)-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.
Chemical Property Profile of Homoyessotoxin
Property Insights of Homoyessotoxin
The XLogP value of 5.4497 indicates that Homoyessotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 269.19 Ų indicates high polarity, suggesting Homoyessotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Homoyessotoxin has 4 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Homoyessotoxin?
The CAS number of Homoyessotoxin is 196309-94-1.
What is the molecular formula of Homoyessotoxin?
The molecular formula of Homoyessotoxin is C56H84O21S2.
What is the molecular weight of Homoyessotoxin?
The molecular weight of Homoyessotoxin is 1156.49 g/mol.
Where can I buy Homoyessotoxin?
You can request a quote for Homoyessotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homoyessotoxin?
Yes, KEHONG BIO provides custom synthesis services for Homoyessotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.