125
概要
表記: | 2'-O-FLUOROETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE |
組成式: | C12 H18 F N2 O9 P |
電荷: | 0 |
化学式量: | 384.251 Da |
分子種別: | RNA LINKING |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 10.04 | 2'-O-(2-fluoroethyl)-5-methyluridine 5'-(dihydrogen phosphate) |
OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-4-(2-fluoroethoxy)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl 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=C1C)C2OC(C(O)C2OCCF)COP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OCCF)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCF)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCF |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCF |
InChI | InChI | 1.03 | InChI=1S/C12H18FN2O9P/c1-6-4-15(12(18)14-10(6)17)11-9(22-3-2-13)8(16)7(24-11)5-23-25(19,20)21/h4,7-9,11,16H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-,11-/m1/s1 |
InChIKey | InChI | 1.03 | MUGZYWKCXQUUJO-TURQNECASA-N |