TTI
Summary
| Name: | 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) |
| Synonyms: | 5-Tellurium-deoxyuridine-5'-phosphate |
| Formula: | C9 H13 N2 O8 P Te |
| Formal charge: | 0 |
| Formula weight: | 435.782 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2,4-dioxo-5-tellanylidene-1,3-diazinan-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CC(=[Te])C(=O)NC2=O |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CC(=[Te])C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | JBISBBUKLAQYGW-HBPOCXIASA-N |
