1LK
Summary
| Name: | 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol |
| Formula: | C5 H11 F O9 P2 |
| Formal charge: | 0 |
| Formula weight: | 296.081 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{R})-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(COP(=O)(O)OP(=O)(O)O)OCC1F |
| InChI | InChI | 1.03 | InChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | JLUFHMADAUUBBV-WDCZJNDASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](F)CO[C@@H]1CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](F)CO[CH]1CO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)F |
