Shanzhiside-methylester
TL;DR: Shanzhiside-methylester (CAS 64421-28-9) is a chemical compound with molecular formula C17H26O11 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Also Known As: Shanzhiside methyl ester, Shanzhiside-methylester, Shanziside methyl ester, Shanzhizide methyl ester, Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-
| Molecular Formula | C17H26O11 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | -3.0359 |
| Topological Polar Surface Area | 175.37 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.14752 |
| Heavy Atoms | 28 |
| Complexity | 618.2249 |
Chemical Identifiers
| CAS Number | 64421-28-9 |
|---|---|
| SMILES | C[C@@]1(C[C@H](C2C1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
Product Overview
Shanzhiside-methylester (CAS 64421-28-9), with molecular formula C17H26O11 and molecular weight 406.15 g/mol. IUPAC: methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Shanzhiside-methylester
Property Insights of Shanzhiside-methylester
The XLogP value of -3.0359 indicates that Shanzhiside-methylester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.37 Ų indicates high polarity, suggesting Shanzhiside-methylester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Shanzhiside-methylester 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 Shanzhiside-methylester?
The CAS number of Shanzhiside-methylester is 64421-28-9.
What is the molecular formula of Shanzhiside-methylester?
The molecular formula of Shanzhiside-methylester is C17H26O11.
What is the molecular weight of Shanzhiside-methylester?
The molecular weight of Shanzhiside-methylester is 406.15 g/mol.
Where can I buy Shanzhiside-methylester?
You can request a quote for Shanzhiside-methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shanzhiside-methylester?
Yes, KEHONG BIO provides custom synthesis services for Shanzhiside-methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.