TFT
Summary
| Name: | (L)-ALPHA-THREOFURANOSYL-THYMINE-3'-MONOPHOSPHATE |
| Formula: | C9 H13 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 308.182 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2OCC(OP(=O)(O)O)C2O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@@H]2OC[C@H](O[P](O)(O)=O)[C@H]2O)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | CC1=CN([CH]2OC[CH](O[P](O)(O)=O)[CH]2O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2C(C(CO2)OP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N2O8P/c1-4-2-11(9(14)10-7(4)13)8-6(12)5(3-18-8)19-20(15,16)17/h2,5-6,8,12H,3H2,1H3,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | DXLJIGGNYCUWOF-SHYZEUOFSA-N |
