A1A7X
Summary
| Name: | 2-deoxy-2-fluoro-1-O-[(S)-hydroxy{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}phosphoryl]-beta-D-arabinofuranose |
| Formula: | C20 H34 F O7 P |
| Formal charge: | 0 |
| Formula weight: | 436.452 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-deoxy-2-fluoro-1-O-[(S)-hydroxy{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}phosphoryl]-beta-D-arabinofuranose |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{R},5~{R})-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl] [(2~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC1C(O)C(CO)OC1OP(O)(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C |
| InChI | InChI | 1.06 | InChI=1S/C20H34FO7P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-26-29(24,25)28-20-18(21)19(23)17(13-22)27-20/h7,9,11,17-20,22-23H,5-6,8,10,12-13H2,1-4H3,(H,24,25)/b15-9+,16-11+/t17-,18+,19-,20+/m1/s1 |
| InChIKey | InChI | 1.06 | UVMYWRMMMKEFCL-KTRXZIFQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC/C(C)=C/CC\C(C)=C\CO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCC/C(=C/COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)F)/C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(O1)CO)O)F)C)C)C |
