Deacetyl asperulosidic acid methyl ester
TL;DR: Deacetyl asperulosidic acid methyl ester (CAS 52613-28-2) is a chemical compound with molecular formula C17H24O11 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Methyl deacetylasperulosidate, 6-Epiferetoside, 6-alpha-Hydroxygeniposide, Deacetyl asperulosidic acid methyl ester, A-Hydroxygeniposide
| Molecular Formula | C17H24O11 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | -3.2583 |
| Topological Polar Surface Area | 175.37 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.13187 |
| Heavy Atoms | 28 |
| Complexity | 645.0149 |
Chemical Identifiers
| CAS Number | 52613-28-2 |
|---|---|
| SMILES | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
Product Overview
Deacetyl asperulosidic acid methyl ester (CAS 52613-28-2), with molecular formula C17H24O11 and molecular weight 404.13 g/mol. IUPAC: methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Deacetyl asperulosidic acid methyl ester
Property Insights of Deacetyl asperulosidic acid methyl ester
The XLogP value of -3.2583 indicates that Deacetyl asperulosidic acid methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.37 Ų indicates high polarity, suggesting Deacetyl asperulosidic acid methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deacetyl asperulosidic acid methyl ester has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deacetyl asperulosidic acid methyl ester?
The CAS number of Deacetyl asperulosidic acid methyl ester is 52613-28-2.
What is the molecular formula of Deacetyl asperulosidic acid methyl ester?
The molecular formula of Deacetyl asperulosidic acid methyl ester is C17H24O11.
What is the molecular weight of Deacetyl asperulosidic acid methyl ester?
The molecular weight of Deacetyl asperulosidic acid methyl ester is 404.13 g/mol.
Where can I buy Deacetyl asperulosidic acid methyl ester?
You can request a quote for Deacetyl asperulosidic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetyl asperulosidic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Deacetyl asperulosidic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.