![Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate structure](/static/products/4906/490-67-5.webp)
Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate
TL;DR: Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate (CAS 490-67-5) is a chemical compound with molecular formula C19H26O12 and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybenzoate
Also Known As: Gaultherin, Monotropitosid, Monotropitin, Violutoside, MONOTROPITOSIDE
| Molecular Formula | C19H26O12 |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.14243 |
| Heavy Atoms | 31 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 490-67-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O |
| InChIKey | VHUNCYDAXJGCLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate (CAS 490-67-5), with molecular formula C19H26O12 and molecular weight 446.14 g/mol. IUPAC: methyl 2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybenzoate.
Chemical Property Profile of Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate
Property Insights of Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate
The XLogP value of -2.5 indicates that Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate?
The CAS number of Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate is 490-67-5.
What is the molecular formula of Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate?
The molecular formula of Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate is C19H26O12.
What is the molecular weight of Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate?
The molecular weight of Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate is 446.14 g/mol.
Where can I buy Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate?
You can request a quote for Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(6-o-pentopyranosylhexopyranosyl)oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.