Aucubin
TL;DR: Aucubin (CAS 4892-48-2) is a chemical compound with molecular formula C15H22O9 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Aucubin, KST-1A5011, (1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl hexopyranoside, .beta.-D-Glucopyranoside,4a,5,7a-tetrahydro-5-hydroxy-7- (hydroxymethyl)cyclopenta[c]pyran-1-yl, [1S-(1.alpha.,4a.alpha.,5.alpha.,7a.alpha)]-, 2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C15H22O9 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.12637 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 4892-48-2 |
|---|---|
| SMILES | C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
| InChIKey | RJWJHRPNHPHBRN-MBUGLWNOSA-N |
Product Overview
Aucubin (CAS 4892-48-2), with molecular formula C15H22O9 and molecular weight 346.13 g/mol. IUPAC: 2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Aucubin
Property Insights of Aucubin
The XLogP value of -3.0 indicates that Aucubin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting Aucubin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aucubin 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 Aucubin?
The CAS number of Aucubin is 4892-48-2.
What is the molecular formula of Aucubin?
The molecular formula of Aucubin is C15H22O9.
What is the molecular weight of Aucubin?
The molecular weight of Aucubin is 346.13 g/mol.
Where can I buy Aucubin?
You can request a quote for Aucubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aucubin?
Yes, KEHONG BIO provides custom synthesis services for Aucubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.