FNG
Summary
| Name: | 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside |
| Synonyms: | 5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSE 5-aminocarbonyl-3-nitrophenyl alpha-D-galactoside; 5-aminocarbonyl-3-nitrophenyl D-galactoside; 5-aminocarbonyl-3-nitrophenyl galactoside |
| Formula: | C13 H16 N2 O9 |
| Formal charge: | 0 |
| Formula weight: | 344.274 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide |
| OpenEye OEToolkits | 1.5.0 | 3-nitro-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzamide |
| PDB-CARE | 1.0 | 5-aminocarbonyl-3-nitrophenyl-a-D-galactopyranose |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)N)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | NC(=O)c1cc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O9/c14-12(20)5-1-6(15(21)22)3-7(2-5)23-13-11(19)10(18)9(17)8(4-16)24-13/h1-3,8-11,13,16-19H,4H2,(H2,14,20)/t8-,9+,10+,11-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | BYSXBFJVGIOFBO-LNSPPBFMSA-N |
