HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzyl b-D-Glucopyranosiduronic Acid Methyl Ester Triacetate
Benzyl β-D-Glucopyranosiduronic Acid Methyl Ester · methyl (benzyl 2,3,4-tri-O-acetyl-β-D-glucopyranosid)uronate · Benzyl b-D-glucopyranosiduronic acid methyl ester triacetate · Benzyl 2-D-Glucopyranosiduronic Acid Methyl Ester Triacetate · Benzyl β-D-Glucopyranosiduronic Acid Methyl Ester Triacetate · PhenylMethyl β-D-Glucopyranosiduronic Acid Methyl Ester Triacetate · Benzyl 2,3,4-tri-O-acetyl β-D-Glucopyranosiduronic Acid Methyl Ester · Benzyl β-D-Glucopyranosiduronic Acid Methyl Ester Triacetate, CAS 3080-47-5
Identifiers & Physical Properties
| CAS No. | 3080-47-5 |
|---|---|
| Molecular formula | C20H24O10 |
| Average molar mass | 424.4 g/mol |
| Monoisotopic mass | 424.13694696 g/mol |
| SMILES | COC(=O)[C@H]1O[C@@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
| InChIKey | IQZIUMCUDYOPQO-KVIJGQROSA-N |
| PubChem CID | 10693603 |
| DTXSID | DTXSID50443600 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 124 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 11 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 627 |
| Melting point | 136-138°C |
| Boiling point | 478.0±45.0 °C(Predicted) |
| Density | 1.29±0.1 g/cm3(Predicted) |
| Storage conditions | Refrigerator |
| Solubility | Chloroform, Ethyl Acetate |
| Physical state | Solid |
| Color | White to Off-White |
Applications & Uses
Uses
Protected Glucopyranosiduronic Acid.