F2T
概要
| 表記: | 2'-deoxy-2'-fluoro-5'-O-thiophosphonouridine |
| 組成式: | C9 H12 F N2 O7 P S |
| 電荷: | 0 |
| 化学式量: | 342.238 Da |
| 分子種別: | RNA linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2'-deoxy-2'-fluoro-5'-O-thiophosphonouridine |
| OpenEye OEToolkits | 2.0.4 | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
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 | 12.01 | P(S)(=O)(OCC1OC(C(C1O)F)N2C(=O)NC(=O)C=C2)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12FN2O7PS/c10-6-7(14)4(3-18-20(16,17)21)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | GAVMOIRMDKJPDM-XVFCMESISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S)O)F |
