allyl methyl beta-glucopyranosiduronate
TL;DR: allyl methyl beta-glucopyranosiduronate (CAS 141520-78-7) is a chemical compound with molecular formula C10H16O7 and molecular weight 248.0896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-prop-2-enoxyoxane-2-carboxylate
Also Known As: allyl methyl beta-glucopyranosiduronate, Methyl (2S,3S,4S,5R,6R)-6-(allyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate, methyl (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-prop-2-enoxyoxane-2-carboxylate
Technical Specifications
| Molecular Formula | C10H16O7 |
| Molecular Weight | 248.0896 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.0896 Da |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
| SMILES | COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC=C)O)O)O |
| InChIKey | SQMMJGKODLXRMJ-XWIWCORWSA-N |
Chemical Property Profile of allyl methyl beta-glucopyranosiduronate
Property Insights of allyl methyl beta-glucopyranosiduronate
The XLogP value of -0.8 indicates that allyl methyl beta-glucopyranosiduronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl methyl beta-glucopyranosiduronate. Following Lipinski's Rule of Five, allyl methyl beta-glucopyranosiduronate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of allyl methyl beta-glucopyranosiduronate?
The CAS number of allyl methyl beta-glucopyranosiduronate is 141520-78-7.
What is the molecular formula of allyl methyl beta-glucopyranosiduronate?
The molecular formula of allyl methyl beta-glucopyranosiduronate is C10H16O7.
What is the molecular weight of allyl methyl beta-glucopyranosiduronate?
The molecular weight of allyl methyl beta-glucopyranosiduronate is 248.0896 g/mol.
Where can I buy allyl methyl beta-glucopyranosiduronate?
You can request a quote for allyl methyl beta-glucopyranosiduronate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for allyl methyl beta-glucopyranosiduronate?
Yes, CoreyChem provides custom synthesis services for allyl methyl beta-glucopyranosiduronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.