Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-
TL;DR: Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- (CAS 72514-65-9) is a chemical compound with molecular formula C22H34O8 and molecular weight 426.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3R,4R,6R,8S,9S,10R,11R,15R,17S)-2,4,10,15,17-pentahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate
Also Known As: Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-, 5,7,10,14,16-Pentahydroxy-2,3-epoxygrayanotoxan-6-yl acetate, (14S)-5,7alpha,10,14,16-Pentahydroxy-2beta,3beta-2,3-epoxygrayanotoxan-6beta-yl acetate
| Molecular Formula | C22H34O8 |
|---|---|
| Molecular Weight | 426.23 g/mol |
| LogP | -0.2737 |
| Topological Polar Surface Area | 139.98 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 426.22537 |
| Heavy Atoms | 30 |
| Complexity | 792.007 |
Chemical Identifiers
| CAS Number | 72514-65-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@H]([C@@]23C[C@@](C([C@@H]2O)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@@H]5[C@H]4O5)(C)C)O)(C)O)(C)O)O |
Product Overview
Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- (CAS 72514-65-9), with molecular formula C22H34O8 and molecular weight 426.23 g/mol. IUPAC: [(1R,2S,3R,4R,6R,8S,9S,10R,11R,15R,17S)-2,4,10,15,17-pentahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate.
Chemical Property Profile of Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-
Property Insights of Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-
The XLogP value of -0.2737 indicates that Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-. Following Lipinski's Rule of Five, Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- has 5 hydrogen bond donor(s) and 8 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 Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-?
The CAS number of Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- is 72514-65-9.
What is the molecular formula of Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-?
The molecular formula of Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- is C22H34O8.
What is the molecular weight of Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-?
The molecular weight of Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- is 426.23 g/mol.
Where can I buy Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-?
You can request a quote for Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-?
Yes, KEHONG BIO provides custom synthesis services for Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.