DKZ
Summary
| Name: | 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one |
| Synonyms: | 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidin-2(1H)-one 4-amino-1-(3-deoxy-3-fluoro-D-glucosyl)pyrimidin-2(1H)-one; 4-amino-1-(3-deoxy-3-fluoro-glucosyl)pyrimidin-2(1H)-one |
| Formula: | C10 H14 F N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 275.234 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 4-azanyl-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](F)[C@H]2O |
| SMILES | CACTVS | 3.352 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH](F)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)CO)O)F)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14FN3O5/c11-6-7(16)4(3-15)19-9(8(6)17)14-2-1-5(12)13-10(14)18/h1-2,4,6-9,15-17H,3H2,(H2,12,13,18)/t4-,6+,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | AGFREDUIXIMAKC-PMPOVCSBSA-N |
