beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl
TL;DR: beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl (CAS 96107-45-8) is a chemical compound with molecular formula C14H16O9 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-(4-formyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Vanillin glucuronide, beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl, 4-Formyl-2-methoxyphenyl hexopyranosiduronic acid, (2S,3S,4S,5R,6S)-6-(4-formyl-2-methoxy-phenoxy)-3,4,5-trihydroxy-oxane-2-carboxylic Acid, 4-Formyl-2-methoxyphenyl beta-D-glucopyranosiduronic acid
| Molecular Formula | C14H16O9 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.07944 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 96107-45-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | FHLOUKKMIKQAHL-BYNIDDHOSA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl (CAS 96107-45-8), with molecular formula C14H16O9 and molecular weight 328.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(4-formyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl
Property Insights of beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl
The XLogP value of -0.6 indicates that beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl 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 beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl is 96107-45-8.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl is C14H16O9.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl is 328.08 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 4-formyl-2-methylphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.