Didesacetylphyllanthostatin 3
TL;DR: Didesacetylphyllanthostatin 3 (CAS 132282-95-2) is a chemical compound with molecular formula C36H50O16 and molecular weight 738.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl] 3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-(3-phenylprop-2-enoyloxy)spiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylate
Also Known As: Didesacetylphyllanthostatin 3
| Molecular Formula | C36H50O16 |
|---|---|
| Molecular Weight | 738.31 g/mol |
| LogP | -0.8747 |
| Topological Polar Surface Area | 240.36 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 738.3099 |
| Heavy Atoms | 52 |
| Complexity | 1427.9252 |
Chemical Identifiers
| CAS Number | 132282-95-2 |
|---|---|
| SMILES | CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C(C4CCC(CC4O2)C(=O)OC5C(C(C(C(O5)C)O)O)OC6C(C(C(C(O6)C)O)O)O)(CO)O |
Product Overview
Didesacetylphyllanthostatin 3 (CAS 132282-95-2), with molecular formula C36H50O16 and molecular weight 738.31 g/mol. IUPAC: [4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl] 3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-(3-phenylprop-2-enoyloxy)spiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylate.
Chemical Property Profile of Didesacetylphyllanthostatin 3
Property Insights of Didesacetylphyllanthostatin 3
The XLogP value of -0.8747 indicates that Didesacetylphyllanthostatin 3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.36 Ų indicates high polarity, suggesting Didesacetylphyllanthostatin 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Didesacetylphyllanthostatin 3 has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Didesacetylphyllanthostatin 3?
The CAS number of Didesacetylphyllanthostatin 3 is 132282-95-2.
What is the molecular formula of Didesacetylphyllanthostatin 3?
The molecular formula of Didesacetylphyllanthostatin 3 is C36H50O16.
What is the molecular weight of Didesacetylphyllanthostatin 3?
The molecular weight of Didesacetylphyllanthostatin 3 is 738.31 g/mol.
Where can I buy Didesacetylphyllanthostatin 3?
You can request a quote for Didesacetylphyllanthostatin 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didesacetylphyllanthostatin 3?
Yes, KEHONG BIO provides custom synthesis services for Didesacetylphyllanthostatin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.