Summary
| Name: | THYMIDINE 5'-MONOTHIOPHOSPHATE |
| Formula: | C9 H13 N2 O8 P S |
| Formal charge: | 0 |
| Formula weight: | 340.247 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5'-O-thiophosphonouridine |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O |
| InChI | InChI | 1.02b | InChI=1/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1/f/h10,16,21H |
| InChIKey | InChI | 1.02b | NSEBKRRODBXALJ-NMPKEWRQDK |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@@](O)(S)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S)O)O |
