UMF
概要
| 表記: | 2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE |
| 別名: | 1-(2-DEOXY-2-FLUORO-3-O-PHOSPHONO-BETA-L-RIBOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE |
| 組成式: | C9 H12 F N2 O8 P |
| 電荷: | 0 |
| 化学式量: | 326.172 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2'-deoxy-2'-fluorouridine 3'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate |
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 | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2F)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](F)[C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](F)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C9H12FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | IFIXUMAFUNKIAA-XVFCMESISA-N |
