4-Phenyl-6-O-malonylglucoside
TL;DR: 4-Phenyl-6-O-malonylglucoside (CAS 104932-60-7) is a chemical compound with molecular formula C15H18O9 and molecular weight 342.0951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]propanoic acid
Also Known As: 4-Phenyl-6-O-malonylglucoside, 4-Phenyl-6-O-malonyl-beta-D-glucopyranoside, Phenyl 6-O-(carboxyacetyl)-beta-D-glucopyranoside, 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]propanoic acid, beta-D-Glucopyranoside, phenyl, 6-(hydrogen propanedioate)
Technical Specifications
| Molecular Formula | C15H18O9 |
| Molecular Weight | 342.0951 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.0951 Da |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
| SMILES | C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC(=O)O)O)O)O |
| InChIKey | WROCAMQDRXZFKS-SWMGHYKJSA-N |
Chemical Property Profile of 4-Phenyl-6-O-malonylglucoside
Property Insights of 4-Phenyl-6-O-malonylglucoside
The XLogP value of -1.2 indicates that 4-Phenyl-6-O-malonylglucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 4-Phenyl-6-O-malonylglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Phenyl-6-O-malonylglucoside has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Phenyl-6-O-malonylglucoside?
The CAS number of 4-Phenyl-6-O-malonylglucoside is 104932-60-7.
What is the molecular formula of 4-Phenyl-6-O-malonylglucoside?
The molecular formula of 4-Phenyl-6-O-malonylglucoside is C15H18O9.
What is the molecular weight of 4-Phenyl-6-O-malonylglucoside?
The molecular weight of 4-Phenyl-6-O-malonylglucoside is 342.0951 g/mol.
Where can I buy 4-Phenyl-6-O-malonylglucoside?
You can request a quote for 4-Phenyl-6-O-malonylglucoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Phenyl-6-O-malonylglucoside?
Yes, CoreyChem provides custom synthesis services for 4-Phenyl-6-O-malonylglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.