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| IUPAC Name: | [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate |
| Description: | A (β-anomer) intermediate of Gemcitabine; antitumor compound. |
| Molecular Weight: | 471.41 |
| Molecular Formula: | C23H19F2N3O6 |
| Canonical SMILES: | C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)(F)F)OC(=O)C4=CC=CC=C4 |
| InChI: | InChI=1S/C23H19F2N3O6/c24-23(25)18(34-20(30)15-9-5-2-6-10-15)16(13-32-19(29)14-7-3-1-4-8-14)33-21(23)28-12-11-17(26)27-22(28)31/h1-12,16,18,21H,13H2,(H2,26,27,31)/t16-,18-,21-/m1/s1 |
| InChI Key: | ZPUUYUUQQGBHBU-HGHGUNKESA-N |
| Boiling Point: | 608.383 ℃ at 760 mmHg |
| Melting Point: | 229-232 ℃ |
| Flash Point: | 321.739ºC |
| Purity: | 98 % |
| Density: | 1.459 g/cm3 |
| Solubility: | DMSO |
| Appearance: | Off-white solid |
| Storage: | Sealed in dry, 2-8 ℃ |
| MDL: | MFCD09837611 |
| LogP: | 3.02200 |
| Refractive Index: | 1.625 |
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