Grayanotoxane-3,5,6,10,14,16-hexol
TL;DR: Grayanotoxane-3,5,6,10,14,16-hexol (CAS 30460-38-9) is a chemical compound with molecular formula C20H34O6 and molecular weight 370.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,6R,8S,9R,10R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol
Also Known As: 3-Epigrayanotoxin III, 3-epi-Grayanotoxin III, Grayanotoxane-3,5,6,10,14,16-hexol, (3-alpha,6-beta,14R)Grayanotoxane-3,5,6,10,14,16-hexol, (14S)-Grayanotoxane-3alpha,5,6beta,10,14,16-hexol
| Molecular Formula | C20H34O6 |
|---|---|
| Molecular Weight | 370.24 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 370.23553 |
| Heavy Atoms | 26 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 30460-38-9 |
|---|---|
| SMILES | C[C@]1(CC23C[C@H]([C@]4([C@@H](C[C@H](C4(C)C)O)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)O)O |
| InChIKey | BWMFRQKICHXLSH-PMDFNMFYSA-N |
Product Overview
Grayanotoxane-3,5,6,10,14,16-hexol (CAS 30460-38-9), with molecular formula C20H34O6 and molecular weight 370.24 g/mol. IUPAC: (3R,4R,6R,8S,9R,10R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol.
Chemical Property Profile of Grayanotoxane-3,5,6,10,14,16-hexol
Property Insights of Grayanotoxane-3,5,6,10,14,16-hexol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grayanotoxane-3,5,6,10,14,16-hexol. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Grayanotoxane-3,5,6,10,14,16-hexol. Following Lipinski's Rule of Five, Grayanotoxane-3,5,6,10,14,16-hexol has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Grayanotoxane-3,5,6,10,14,16-hexol?
The CAS number of Grayanotoxane-3,5,6,10,14,16-hexol is 30460-38-9.
What is the molecular formula of Grayanotoxane-3,5,6,10,14,16-hexol?
The molecular formula of Grayanotoxane-3,5,6,10,14,16-hexol is C20H34O6.
What is the molecular weight of Grayanotoxane-3,5,6,10,14,16-hexol?
The molecular weight of Grayanotoxane-3,5,6,10,14,16-hexol is 370.24 g/mol.
Where can I buy Grayanotoxane-3,5,6,10,14,16-hexol?
You can request a quote for Grayanotoxane-3,5,6,10,14,16-hexol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grayanotoxane-3,5,6,10,14,16-hexol?
Yes, KEHONG BIO provides custom synthesis services for Grayanotoxane-3,5,6,10,14,16-hexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.