A1I0L
Summary
| Name: | methyl 2-acetamido-2-deoxy-6-fluoro-6-deoxy-beta-D-glucopyranoside |
| Synonyms: | methyl 2-acetamido-2-deoxy-6-fluoro-6-deoxy-beta-D-glucoside methyl 2-acetamido-2-deoxy-6-fluoro-6-deoxy-D-glucoside; methyl 2-acetamido-2-deoxy-6-fluoro-6-deoxy-glucoside; N-[(2R,3R,4R,5S,6S)-6-(fluoranylmethyl)-2-methoxy-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
| Formula: | C9 H16 F N O5 |
| Formal charge: | 0 |
| Formula weight: | 237.225 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{S})-6-(fluoranylmethyl)-2-methoxy-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H16FNO5/c1-4(12)11-6-8(14)7(13)5(3-10)16-9(6)15-2/h5-9,13-14H,3H2,1-2H3,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.06 | VGKZAKQBHODFLA-JGKVKWKGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1O[C@H](CF)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH](CF)[CH](O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CF)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C(C(OC1OC)CF)O)O |
