9T1
Summary
| Name: | 5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid |
| Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid |
| Formula: | C11 H16 F N O7 |
| Formal charge: | 0 |
| Formula weight: | 293.246 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},5~{S},6~{R})-5-acetamido-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-3-fluoranyl-4-oxidanylidene-oxane-2-car boxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1 |
| InChIKey | InChI | 1.03 | CNGWPEUTMWFBNW-QITVGDPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@H](F)C(=O)[C@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](O)[CH]1O[CH]([CH](F)C(=O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]([C@H]([C@H]1[C@@H](C(=O)[C@H]([C@H](O1)C(=O)O)F)NC(=O)C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(C1C(C(=O)C(C(O1)C(=O)O)F)NC(=O)C)O)O |
