UMS
Summary
| Name: | 2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-PHOSPHATE |
| Formula: | C10 H15 N2 O8 P Se |
| Formal charge: | 0 |
| Formula weight: | 401.168 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-Se-methyl-2'-selenouridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methylselanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1)C2OC(C(O)C2[Se]C)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[Se][C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[Se]C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N2O8PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | PADIGPKUSVFCBC-ZOQUXTDFSA-N |
