![3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one structure](/static/products/5921/59219-76-0.webp)
3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
TL;DR: 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one (CAS 59219-76-0) is a chemical compound with molecular formula C11H14O8 and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
Also Known As: Erigeroside, 4-oxo-4H-pyran-3-yl hexopyranoside, 4CH-024753, 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one, 3-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)oxy)-4H-pyran-4-one
| Molecular Formula | C11H14O8 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.06888 |
| Heavy Atoms | 19 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 59219-76-0 |
|---|---|
| SMILES | C1=COC=C(C1=O)OC2C(C(C(C(O2)CO)O)O)O |
| InChIKey | QCBPBADGYXFZSW-UHFFFAOYSA-N |
Product Overview
3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one (CAS 59219-76-0), with molecular formula C11H14O8 and molecular weight 274.07 g/mol. IUPAC: 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one.
Chemical Property Profile of 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
Property Insights of 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
The XLogP value of -1.8 indicates that 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one. Following Lipinski's Rule of Five, 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one 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 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one?
The CAS number of 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one is 59219-76-0.
What is the molecular formula of 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one?
The molecular formula of 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one is C11H14O8.
What is the molecular weight of 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one?
The molecular weight of 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one is 274.07 g/mol.
Where can I buy 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one?
You can request a quote for 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.