 |
| Ligand Name: 2,5-dinitrophenyl-beta-d-xyloside |
| Ligand Type: saccharide |
| Ligand ID: COVPDB1479 |
PubChem:
101207195
|
Synonym(s):
- 2,5-dinitrophenyl beta-d-xylopyranoside
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)Oc2c([N+]([O-])=O)ccc([N+]([O-])=O)c2 |
| Standard InChI: InChI=1S/C11H12N2O9/c14-7-4-21-11(10(16)9(7)15)22-8-3-5(12(17)18)1-2-6(8)13(19)20/h1-3,7,9-11,14-16H,4H2/t7-,9+,10-,11+/m1/s1 |
| Molecular Formula: C11H12N2O9 |
Mol. Weight: 316.0543 |
logP: -0.6792 |
| HBD: 3 | HBA: 9 |
| #Rotatable Bonds: 4 | TPSA: 165.43 |