U0X
Summary
| Name: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol |
| Formula: | C12 H20 F2 O9 |
| Formal charge: | 0 |
| Formula weight: | 346.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H20F2O9/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-12,15-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.06 | CZAGHLGJQHEHTN-YDHPHUQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@H](O)[C@@H](CF)O[C@H](O[C@H]2O[C@H](CF)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](CF)O[CH](O[CH]2O[CH](CF)[CH](O)[CH](O)[CH]2O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CF)O)O)O)O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CF)O)O)O)O)O)O)F |
