HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ganciclovir Di-O-acetate
GXLW-IM-108 · Ganciclovir Diacetate · Ganciclovir Impurity 28 · Ganciclovir Di-O-acetate · Ganciclovir impurities811 · Ciprofloxacin Impurity 22 · iso-Ganciclovir Triacetate · Ganciclovir Diacetyl Impurity
Identifiers & Physical Properties
| CAS No. | 86357-19-9 |
|---|---|
| Molecular formula | C13H17N5O6 |
| Average molar mass | 339.3 g/mol |
| SMILES | CC(=O)OCC(COC(C)=O)OCn1cnc2c(=O)[nH]c(N)nc21 |
| InChIKey | NSZKHEYZLNPIEJ-UHFFFAOYSA-N |
| PubChem CID | 135459822 |
| ChEMBL | CHEMBL122526 |
Chemical & Physical Properties
| XLogP | -1.4 |
|---|---|
| Topological polar surface area | 147 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 9 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 521 |
| Melting point | 238°C |
| Boiling point | 475.29°C (rough estimate) |
| Density | 1.3014 (rough estimate) |
| Refractive index | 1.6500 (estimate) |
| Solubility | 0.58g/L(25 ºC) |