EEQ
Summary
| Name: | 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose |
| Synonyms: | 2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactose; 2-deoxy-2-[(fluoroacetyl)amino]-D-galactose; 2-deoxy-2-[(fluoroacetyl)amino]-galactose |
| 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 |
| OpenEye OEToolkits | 2.0.6 | 2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14FNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6+,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | LMPCEKTVFVQIPT-VDUCJHRSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](O)[C@H](NC(=O)CF)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](NC(=O)CF)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)CF)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(C(O1)O)NC(=O)CF)O)O)O |
