3,4-Dihydroaucubin
TL;DR: 3,4-Dihydroaucubin (CAS 82426-96-8) is a chemical compound with molecular formula C15H24O9 and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-hydroxy-7-(hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 3,4-Dihydroaucubin, beta-D-Glucopyranoside, 1,3,4,4a,5,7a-hexahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,5alpha,7aalpha))-, 5-hydroxy-7-(hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-1-yl hexopyranoside, 2-[[5-hydroxy-7-(hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C15H24O9 |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.14203 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 82426-96-8 |
|---|---|
| SMILES | C1COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
| InChIKey | OOJZWXCTDBXCJY-UHFFFAOYSA-N |
Product Overview
3,4-Dihydroaucubin (CAS 82426-96-8), with molecular formula C15H24O9 and molecular weight 348.14 g/mol. IUPAC: 2-[[5-hydroxy-7-(hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 3,4-Dihydroaucubin
Property Insights of 3,4-Dihydroaucubin
The XLogP value of -3.1 indicates that 3,4-Dihydroaucubin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 3,4-Dihydroaucubin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-Dihydroaucubin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dihydroaucubin?
The CAS number of 3,4-Dihydroaucubin is 82426-96-8.
What is the molecular formula of 3,4-Dihydroaucubin?
The molecular formula of 3,4-Dihydroaucubin is C15H24O9.
What is the molecular weight of 3,4-Dihydroaucubin?
The molecular weight of 3,4-Dihydroaucubin is 348.14 g/mol.
Where can I buy 3,4-Dihydroaucubin?
You can request a quote for 3,4-Dihydroaucubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroaucubin?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroaucubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.