6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate
TL;DR: 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate (CAS 56662-60-3) is a chemical compound with molecular formula C25H40O9 and molecular weight 484.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4R,8S,9R,14R)-3-acetyloxy-2,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
Also Known As: Pieristoxin F, 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate, (9xi)-6-(Acetyloxy)-3,5,7alpha,10,16-pentahydroxygrayanotoxan-14-yl propanoate, [(2S,4R,8S,9R,14R)-3-Acetyloxy-2,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
| Molecular Formula | C25H40O9 |
|---|---|
| Molecular Weight | 484.27 g/mol |
| LogP | 0.6708 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.26724 |
| Heavy Atoms | 34 |
| Complexity | 866.44763 |
Chemical Identifiers
| CAS Number | 56662-60-3 |
|---|---|
| SMILES | CCC(=O)OC1C2CCC3C1(C[C@@]2(C)O)[C@@H](C([C@]4([C@H]([C@]3(C)O)CC(C4(C)C)O)O)OC(=O)C)O |
Product Overview
6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate (CAS 56662-60-3), with molecular formula C25H40O9 and molecular weight 484.27 g/mol. IUPAC: [(2S,4R,8S,9R,14R)-3-acetyloxy-2,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate.
Chemical Property Profile of 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate
Property Insights of 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate
The XLogP value of 0.6708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate. The TPSA of 153.75 Ų indicates high polarity, suggesting 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate has 5 hydrogen bond donor(s) and 9 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 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate?
The CAS number of 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate is 56662-60-3.
What is the molecular formula of 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate?
The molecular formula of 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate is C25H40O9.
What is the molecular weight of 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate?
The molecular weight of 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate is 484.27 g/mol.
Where can I buy 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate?
You can request a quote for 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(Acetyloxy)-3,5,7,10,16-pentahydroxygrayanotoxan-14-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.