Tuberonic acid glucoside
TL;DR: Tuberonic acid glucoside (CAS 120399-24-8) is a chemical compound with molecular formula C18H28O9 and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
Also Known As: Tuberonic acid glucoside, tuberonic acid glucose, Cyclopentaneacetic acid, 12-Hydroxyjasmonic acid glucoside, tuberonic acid beta-D-glucoside
| Molecular Formula | C18H28O9 |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | -0.7907 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.17334 |
| Heavy Atoms | 27 |
| Complexity | 532.92535 |
Chemical Identifiers
| CAS Number | 120399-24-8 |
|---|---|
| SMILES | C1CC(=O)[C@@H]([C@H]1CC(=O)O)C/C=C\CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
Product Overview
Tuberonic acid glucoside (CAS 120399-24-8), with molecular formula C18H28O9 and molecular weight 388.17 g/mol. IUPAC: 2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid.
Chemical Property Profile of Tuberonic acid glucoside
Property Insights of Tuberonic acid glucoside
The XLogP value of -0.7907 indicates that Tuberonic acid glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.75 Ų indicates high polarity, suggesting Tuberonic acid glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tuberonic acid glucoside has 5 hydrogen bond donor(s) and 8 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 Tuberonic acid glucoside?
The CAS number of Tuberonic acid glucoside is 120399-24-8.
What is the molecular formula of Tuberonic acid glucoside?
The molecular formula of Tuberonic acid glucoside is C18H28O9.
What is the molecular weight of Tuberonic acid glucoside?
The molecular weight of Tuberonic acid glucoside is 388.17 g/mol.
Where can I buy Tuberonic acid glucoside?
You can request a quote for Tuberonic acid glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tuberonic acid glucoside?
Yes, KEHONG BIO provides custom synthesis services for Tuberonic acid glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.