6KS
Summary
| Name: | heptyl 2-fluoro-alpha-D-mannopyranoside |
| Synonyms: | 2-Fluoro-Heptylmannoside heptyl 2-fluoro-alpha-D-mannoside; heptyl 2-fluoro-D-mannoside; heptyl 2-fluoro-mannoside |
| Formula: | C13 H25 F O5 |
| Formal charge: | 0 |
| Formula weight: | 280.333 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{R},3~{S},4~{S},5~{S},6~{S})-5-fluoranyl-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-10(14)12(17)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | UNCNEFLGGSGWLT-MLGHIDQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1F |
| SMILES | CACTVS | 3.385 | CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCCCCCCOC1C(C(C(C(O1)CO)O)O)F |
