Ziziphin
TL;DR: Ziziphin (CAS 96608-40-1) is a chemical compound with molecular formula C51H80O18 and molecular weight 980.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6S)-3-acetyloxy-2-[[(10R,15S,16R)-7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,6,10,15,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-16-yl]oxy]-5-hydroxy-6-methyloxan-4-yl] acetate
Also Known As: Ziziphin, TMPS, KST-1A9150, (1r,12ar,14bs)-10-{[4-o-(6-deoxy-, A-l-mannopyranosyl)-
| Molecular Formula | C51H80O18 |
|---|---|
| Molecular Weight | 980.53 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 980.5345 |
| Heavy Atoms | 69 |
| Complexity | 1960.0 |
Chemical Identifiers
| CAS Number | 96608-40-1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O)O)OC3CC[C@@]4(C5CCC6[C@]7([C@](CC(OC78CC6(C5CCC4C3(C)C)CO8)C=C(C)C)(C)O[C@H]9[C@@H]([C@H]([C@H]([C@@H](O9)C)O)OC(=O)C)OC(=O)C)C)C)O)O)O |
| InChIKey | AICJONNKRALLJR-XEHDLNSESA-N |
Product Overview
Ziziphin (CAS 96608-40-1), with molecular formula C51H80O18 and molecular weight 980.53 g/mol. IUPAC: [(2S,3R,4S,5S,6S)-3-acetyloxy-2-[[(10R,15S,16R)-7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,6,10,15,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-16-yl]oxy]-5-hydroxy-6-methyloxan-4-yl] acetate.
Chemical Property Profile of Ziziphin
Property Insights of Ziziphin
The XLogP value of 3.7 indicates that Ziziphin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.0 Ų indicates high polarity, suggesting Ziziphin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ziziphin has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ziziphin?
The CAS number of Ziziphin is 96608-40-1.
What is the molecular formula of Ziziphin?
The molecular formula of Ziziphin is C51H80O18.
What is the molecular weight of Ziziphin?
The molecular weight of Ziziphin is 980.53 g/mol.
Where can I buy Ziziphin?
You can request a quote for Ziziphin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ziziphin?
Yes, KEHONG BIO provides custom synthesis services for Ziziphin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.