A1H37
Summary
| Name: | (1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol |
| Synonyms: | 1,2-diF-ADG 3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride |
| Formula: | C6 H9 F O3 |
| Formal charge: | 0 |
| Formula weight: | 148.132 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H9FO3/c7-3-1-9-4-2-10-6(3)5(4)8/h3-6,8H,1-2H2/t3-,4+,5-,6+/m0/s1 |
| InChIKey | InChI | 1.06 | BIAPWCHZUDCPBP-BGPJRJDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H]2CO[C@@H]1[C@@H](F)CO2 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH]2CO[CH]1[CH](F)CO2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]2[C@@H]([C@H](O1)[C@H](CO2)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C2C(C(O1)C(CO2)F)O |
