NPF
Summary
| Name: | 2-nitrophenyl beta-D-fucopyranoside |
| Synonyms: | ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE 2-nitrophenyl 6-deoxy-beta-D-galactopyranoside; 2-nitrophenyl beta-D-fucoside; 2-nitrophenyl D-fucoside; 2-nitrophenyl fucoside |
| Formula: | C12 H15 N O7 |
| Formal charge: | 0 |
| Formula weight: | 285.25 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-nitrophenyl 6-deoxy-beta-D-galactopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol |
| PDB-CARE | 1.0 | orthonitrophenyl-b-D-fucopyranoside |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[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)Oc2ccccc2[N+](=O)[O-])O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(O1)Oc2ccccc2[N+](=O)[O-])O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | SWRPIVXPHLYETN-BVWHHUJWSA-N |
