4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside
TL;DR: 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside (CAS 116981-86-3) is a chemical compound with molecular formula C16H15F3O8 and molecular weight 392.0719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(trifluoromethyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside, 4-(Trifluoromethyl)umbelliferyl-b-D-galactopyranoside, 4-(Trifluoromethyl)umbelliferyl-beta-D-glucopyranoside, 4-(Trifluoromethyl)-7-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one, 4-(Trifluoromethyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Technical Specifications
| Molecular Formula | C16H15F3O8 |
| Molecular Weight | 392.0719 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.0719 Da |
| Heavy Atoms | 27 |
| Complexity | 595.0 |
| SMILES | C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=C2C(F)(F)F |
| InChIKey | WXZJYRMHQCZVKG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside
Property Insights of 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside
The XLogP value of -0.3 indicates that 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside 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 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside?
The CAS number of 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside is 116981-86-3.
What is the molecular formula of 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside?
The molecular formula of 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside is C16H15F3O8.
What is the molecular weight of 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside?
The molecular weight of 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside is 392.0719 g/mol.
Where can I buy 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside?
You can request a quote for 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside?
Yes, CoreyChem provides custom synthesis services for 4-(Trifluoromethyl)umbelliferyl- -D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.