Ipomeanol 4-glucuronide
TL;DR: Ipomeanol 4-glucuronide (CAS 881-87-8) is a chemical compound with molecular formula C15H20O9 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[5-(furan-3-yl)-5-oxopentan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Ipomeanol 4-glucuronide, 5-(furan-3-yl)-5-oxopentan-2-yl, A-d-glucopyranosiduronic acid, 5-(Furan-3-yl)-5-oxopentan-2-yl hexopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 4-(3-furanyl)-1-methyl-4-oxobutyl
| Molecular Formula | C15H20O9 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.11072 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 881-87-8 |
|---|---|
| SMILES | CC(CCC(=O)C1=COC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | PRIASYUIKDWKKL-UICVJNQZSA-N |
Product Overview
Ipomeanol 4-glucuronide (CAS 881-87-8), with molecular formula C15H20O9 and molecular weight 344.11 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[5-(furan-3-yl)-5-oxopentan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Ipomeanol 4-glucuronide
Property Insights of Ipomeanol 4-glucuronide
The XLogP value of -0.6 indicates that Ipomeanol 4-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting Ipomeanol 4-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ipomeanol 4-glucuronide has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ipomeanol 4-glucuronide?
The CAS number of Ipomeanol 4-glucuronide is 881-87-8.
What is the molecular formula of Ipomeanol 4-glucuronide?
The molecular formula of Ipomeanol 4-glucuronide is C15H20O9.
What is the molecular weight of Ipomeanol 4-glucuronide?
The molecular weight of Ipomeanol 4-glucuronide is 344.11 g/mol.
Where can I buy Ipomeanol 4-glucuronide?
You can request a quote for Ipomeanol 4-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ipomeanol 4-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Ipomeanol 4-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.