Valproic acid glucuronide
TL;DR: Valproic acid glucuronide (CAS 60113-83-9) is a chemical compound with molecular formula C14H24O8 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-propylpentanoyloxy)oxane-2-carboxylic acid
Also Known As: Valproic acid glucuronide, VPAG, Myproate, Valproate, Myproic Acid
| Molecular Formula | C14H24O8 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.14713 |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 60113-83-9 |
|---|---|
| SMILES | CCCC(CCC)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
| InChIKey | XXKSYIHWRBBHIC-JVWRJRKNSA-N |
Product Overview
Valproic acid glucuronide (CAS 60113-83-9), with molecular formula C14H24O8 and molecular weight 320.15 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-propylpentanoyloxy)oxane-2-carboxylic acid.
Chemical Property Profile of Valproic acid glucuronide
Property Insights of Valproic acid glucuronide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valproic acid glucuronide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Valproic acid glucuronide. Following Lipinski's Rule of Five, Valproic acid glucuronide has 4 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 Valproic acid glucuronide?
The CAS number of Valproic acid glucuronide is 60113-83-9.
What is the molecular formula of Valproic acid glucuronide?
The molecular formula of Valproic acid glucuronide is C14H24O8.
What is the molecular weight of Valproic acid glucuronide?
The molecular weight of Valproic acid glucuronide is 320.15 g/mol.
Where can I buy Valproic acid glucuronide?
You can request a quote for Valproic acid glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valproic acid glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Valproic acid glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.