7D8
Summary
| Name: | (1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol |
| Formula: | C8 H13 F O3 |
| Formal charge: | 0 |
| Formula weight: | 176.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H13FO3/c9-5-1-4-2-8(4,3-10)7(12)6(5)11/h4-7,10-12H,1-3H2/t4-,5-,6+,7+,8-/m0/s1 |
| InChIKey | InChI | 1.03 | QSRAFSPBHBMPLO-TXXZRHAASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@]12C[C@@H]1C[C@H](F)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.385 | OC[C]12C[CH]1C[CH](F)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@H]2C[C@]2([C@@H]([C@@H]([C@H]1F)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C2CC2(C(C(C1F)O)O)CO |
