LEC
Summary
| Name: | 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| Synonyms: | N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucoside; 4-nitrophenyl 2-acetamido-2-deoxy-D-glucoside; 4-nitrophenyl 2-acetamido-2-deoxy-glucoside |
| Formula: | C14 H18 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 342.301 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1NC(=O)C)CO)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | OMRLTNCLYHKQCK-DHGKCCLASA-N |
