ZTH
Summary
| Name: | (S)-1'-(2',3'-DIHYDROXYPROPYL)-THYMINE |
| Formula: | C8 H13 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 280.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-hydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(2S)-2-hydroxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)CN1C=C(C(=O)NC1=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN(C[C@H](O)CO[P](O)(O)=O)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | CC1=CN(C[CH](O)CO[P](O)(O)=O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)CC(COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13N2O7P/c1-5-2-10(8(13)9-7(5)12)3-6(11)4-17-18(14,15)16/h2,6,11H,3-4H2,1H3,(H,9,12,13)(H2,14,15,16)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | WWYWEFRSGDVKHI-LURJTMIESA-N |
