KHP
Summary
| Name: | 4-nitrophenyl alpha-L-arabinofuranoside |
| Synonyms: | 2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-TETRAHYDRO-FURAN-3,4-DIOL 4-NITROPHENYL-ARA; 4-nitrophenyl alpha-L-arabinoside; 4-nitrophenyl L-arabinoside; 4-nitrophenyl arabinoside |
| Formula: | C11 H13 N O7 |
| Formal charge: | 0 |
| Formula weight: | 271.223 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-nitrophenyl alpha-L-arabinofuranoside |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4R,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol |
| PDB-CARE | 1.0 | 4-nitrophenyl-Ara |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c2ccc(OC1OC(C(O)C1O)CO)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[N+](=O)[O-])OC2C(C(C(O2)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | DUYYBTBDYZXISX-UKKRHICBSA-N |
