9SJ
Summary
| Name: | 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid |
| Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid |
| Formula: | C11 H18 F N O7 |
| Formal charge: | 0 |
| Formula weight: | 295.262 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R},4~{R},5~{R},6~{S})-5-acetamido-6-[(2~{S})-2,3-bis(oxidanyl)propyl]-3-fluoranyl-4-oxidanyl-oxane-2-carboxyl ic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | BLSXDTLZOKHJGS-FOVGZEBNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@H](O[C@H]1C[C@H](O)CO)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)[CH](F)[CH](O[CH]1C[CH](O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC1C(OC(C(C1O)F)C(=O)O)CC(CO)O |
