Grayanotoxin XIV
TL;DR: Grayanotoxin XIV (CAS 39012-12-9) is a chemical compound with molecular formula C22H34O7 and molecular weight 410.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,8S,9R,13S,14R)-3,4,9,14-tetrahydroxy-5,5,9,14-tetramethyl-6-oxo-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
Also Known As: Grayanotoxin XIV, 5,6,10,16-Tetrahydroxy-3-oxograyanotoxan-14-yl acetate, (9xi)-5,6beta,10,16-Tetrahydroxy-3-oxo-13beta-grayanotoxan-14-yl acetate, Grayanotoxan-3-one, 14-(acetyloxy)-5,6,10,16-tetrahydroxy-, (6beta,14R)-
| Molecular Formula | C22H34O7 |
|---|---|
| Molecular Weight | 410.23 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.23044 |
| Heavy Atoms | 29 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 39012-12-9 |
|---|---|
| SMILES | CC(=O)OC1[C@@H]2CCC3C1(C[C@H]([C@]4([C@H]([C@]3(C)O)CC(=O)C4(C)C)O)O)C[C@@]2(C)O |
| InChIKey | LOTVLPWIGMLKMS-UEPRXIOLSA-N |
Product Overview
Grayanotoxin XIV (CAS 39012-12-9), with molecular formula C22H34O7 and molecular weight 410.23 g/mol. IUPAC: [(3R,4R,8S,9R,13S,14R)-3,4,9,14-tetrahydroxy-5,5,9,14-tetramethyl-6-oxo-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate.
Chemical Property Profile of Grayanotoxin XIV
Property Insights of Grayanotoxin XIV
The XLogP value of -0.1 indicates that Grayanotoxin XIV is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Grayanotoxin XIV. Following Lipinski's Rule of Five, Grayanotoxin XIV has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Grayanotoxin XIV?
The CAS number of Grayanotoxin XIV is 39012-12-9.
What is the molecular formula of Grayanotoxin XIV?
The molecular formula of Grayanotoxin XIV is C22H34O7.
What is the molecular weight of Grayanotoxin XIV?
The molecular weight of Grayanotoxin XIV is 410.23 g/mol.
Where can I buy Grayanotoxin XIV?
You can request a quote for Grayanotoxin XIV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grayanotoxin XIV?
Yes, KEHONG BIO provides custom synthesis services for Grayanotoxin XIV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.