2OT
概要
| 表記: | 2'-O-[2-(N,N-DIMETHYLAMINOOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE |
| 組成式: | C14 H24 N3 O10 P |
| 電荷: | 0 |
| 化学式量: | 425.328 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-[(dimethylamino)oxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-4-(2-dimethylaminooxyethoxy)-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)C2OCCON(C)C)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)OCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O |
| SMILES | CACTVS | 3.341 | CN(C)OCCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=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)OCCON(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCON(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H24N3O10P/c1-8-6-17(14(20)15-12(8)19)13-11(24-4-5-25-16(2)3)10(18)9(27-13)7-26-28(21,22)23/h6,9-11,13,18H,4-5,7H2,1-3H3,(H,15,19,20)(H2,21,22,23)/t9-,10-,11-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | OPZZJWKFPFNZJV-PRULPYPASA-N |
