(+)-Piperitol beta-glucoside
TL;DR: (+)-Piperitol beta-glucoside (CAS 73980-90-2) is a chemical compound with molecular formula C26H30O11 and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Simplexoside, (+)-Piperitol beta-glucoside, beta-D-Glucopyranoside, 4-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1R-(1alpha,3aalpha,4alpha,6aalpha))-, 2-[4-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 4-[4-(2H-1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranoside
| Molecular Formula | C26H30O11 |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.17883 |
| Heavy Atoms | 37 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 73980-90-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC6C(C(C(C(O6)CO)O)O)O |
| InChIKey | USVLFVSHBLNSOC-UHFFFAOYSA-N |
Product Overview
(+)-Piperitol beta-glucoside (CAS 73980-90-2), with molecular formula C26H30O11 and molecular weight 518.18 g/mol. IUPAC: 2-[4-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of (+)-Piperitol beta-glucoside
Property Insights of (+)-Piperitol beta-glucoside
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Piperitol beta-glucoside. The TPSA of 146.0 Ų indicates high polarity, suggesting (+)-Piperitol beta-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (+)-Piperitol beta-glucoside has 4 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 (+)-Piperitol beta-glucoside?
The CAS number of (+)-Piperitol beta-glucoside is 73980-90-2.
What is the molecular formula of (+)-Piperitol beta-glucoside?
The molecular formula of (+)-Piperitol beta-glucoside is C26H30O11.
What is the molecular weight of (+)-Piperitol beta-glucoside?
The molecular weight of (+)-Piperitol beta-glucoside is 518.18 g/mol.
Where can I buy (+)-Piperitol beta-glucoside?
You can request a quote for (+)-Piperitol beta-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Piperitol beta-glucoside?
Yes, KEHONG BIO provides custom synthesis services for (+)-Piperitol beta-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.