NTF
Summary
| Name: | N-(trifluoroacetyl)-beta-D-glucopyranosylamine |
| Synonyms: | N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE N-(trifluoroacetyl)-beta-D-glucosylamine; N-(trifluoroacetyl)-D-glucosylamine; N-(trifluoroacetyl)-glucosylamine |
| Formula: | C8 H12 F3 N O6 |
| Formal charge: | 0 |
| Formula weight: | 275.179 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(trifluoroacetyl)-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | 2,2,2-trifluoro-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)C(F)(F)F |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)C(F)(F)F)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(F)(F)F)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)NC(=O)C(F)(F)F)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-6-5(16)4(15)3(14)2(1-13)18-6/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | XMUBEPVSEUVEBW-VFUOTHLCSA-N |
