![[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate structure](/static/products/2105/21056-52-0.webp)
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
TL;DR: [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate (CAS 21056-52-0) is a chemical compound with molecular formula C13H16O7 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
Also Known As: periplanetin, starbld0006446, 1-O-Benzoylhexopyranose, Benzoyl-beta-D-glucoside, 1-O-Benzoyl-b-D-glucose
| Molecular Formula | C13H16O7 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0896 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 21056-52-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O |
| InChIKey | LVFCLUMIBMHAFL-UHFFFAOYSA-N |
Product Overview
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate (CAS 21056-52-0), with molecular formula C13H16O7 and molecular weight 284.09 g/mol. IUPAC: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate.
Chemical Property Profile of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
Property Insights of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
The XLogP value of -1.0 indicates that [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate. Following Lipinski's Rule of Five, [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate has 4 hydrogen bond donor(s) and 7 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 [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate?
The CAS number of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate is 21056-52-0.
What is the molecular formula of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate?
The molecular formula of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate is C13H16O7.
What is the molecular weight of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate?
The molecular weight of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate is 284.09 g/mol.
Where can I buy [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate?
You can request a quote for [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.