Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-
TL;DR: Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- (CAS 79598-73-5) is a chemical compound with molecular formula C14H18O9 and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]acetic acid
Also Known As: Phenoxyacetic acid beta-glucoside, KST-1A8277, [4-(, A-d-glucopyranosyloxy)phenoxy]acetic acid, [4-(Hexopyranosyloxy)phenoxy]acetic acid
| Molecular Formula | C14H18O9 |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.0951 |
| Heavy Atoms | 23 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 79598-73-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | HDPVIVKTCDNEKT-RGCYKPLRSA-N |
Product Overview
Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- (CAS 79598-73-5), with molecular formula C14H18O9 and molecular weight 330.10 g/mol. IUPAC: 2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]acetic acid.
Chemical Property Profile of Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-
Property Insights of Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-
The XLogP value of -1.1 indicates that Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- has 5 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 Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-?
The CAS number of Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- is 79598-73-5.
What is the molecular formula of Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-?
The molecular formula of Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- is C14H18O9.
What is the molecular weight of Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-?
The molecular weight of Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- is 330.10 g/mol.
Where can I buy Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-?
You can request a quote for Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4-(beta-D-glucopyranosyloxy)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.