DKX
概要
| 表記: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione |
| 別名: | 1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione 1-(3-deoxy-3-fluoro-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 1-(3-deoxy-3-fluoro-glucosyl)pyrimidine-2,4(1H,3H)-dione |
| 組成式: | C10 H13 F N2 O6 |
| 電荷: | 0 |
| 化学式量: | 276.218 Da |
| 分子種別: | D-saccharide |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 1.6.1 | 1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@H]1O[C@H]([C@H](O)[C@@H](F)[C@@H]1O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.352 | OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)NC1=O)[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)NC1=O)C2C(C(C(C(O2)CO)O)F)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13FN2O6/c11-6-7(16)4(3-14)19-9(8(6)17)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6+,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | QGWLQEMDCINRKW-PMPOVCSBSA-N |
