JV4
Summary
| Name: | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose |
| Synonyms: | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucose 6-deoxy-6-fluoro-1-O-phosphono-D-glucose; 6-deoxy-6-fluoro-1-O-phosphono-glucose |
| Formula: | C6 H12 F O8 P |
| Formal charge: | 0 |
| Formula weight: | 262.127 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(OC(C1O)CF)OP(O)(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12FO8P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | ZDQPPJLAZOIPEN-VFUOTHLCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](O)[C@@H](CF)O[C@H](O[P](O)(O)=O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](CF)O[CH](O[P](O)(O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)F |
