0XY
Summary
| Name: | 5-fluoro-N-acetyl-alpha-D-glucosamine |
| Synonyms: | N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide |
| Formula: | C8 H14 F N O6 |
| Formal charge: | 0 |
| Formula weight: | 239.198 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | N-[(2R,3R,4R,5S,6S)-6-fluoranyl-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC1(OC(O)C(NC(=O)C)C(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7?,8-/m1/s1 |
| InChIKey | InChI | 1.03 | FRZYHGPCSHDXIZ-JTFAZQEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@H]1[C@@H](O)O[C@](F)(CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH]1[CH](O)O[C](F)(CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC1C(C(C(OC1O)(CO)F)O)O |
