14T
Summary
| Name: | 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside |
| Synonyms: | 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucoside 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-D-glucoside; 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-glucoside |
| Formula: | C14 H15 F4 N O6 |
| Formal charge: | 0 |
| Formula weight: | 369.266 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside |
| OpenEye OEToolkits | 1.6.1 | N-[(2S,3R,4R,5S,6R)-2-(3,4-difluorophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2,2-difluoro-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)C(=O)NC2C(O)C(O)C(OC2Oc1cc(F)c(F)cc1)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@H]1O[C@@H](Oc2ccc(F)c(F)c2)[C@H](NC(=O)C(F)F)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.352 | OC[CH]1O[CH](Oc2ccc(F)c(F)c2)[CH](NC(=O)C(F)F)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1OC2C(C(C(C(O2)CO)O)O)NC(=O)C(F)F)F)F |
| InChI | InChI | 1.03 | InChI=1S/C14H15F4NO6/c15-6-2-1-5(3-7(6)16)24-14-9(19-13(23)12(17)18)11(22)10(21)8(4-20)25-14/h1-3,8-12,14,20-22H,4H2,(H,19,23)/t8-,9-,10-,11-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | YFQSDCPFGCAUBD-GOBQNSBTSA-N |
