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| Ligand Name: 7-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB452 |
PubChem:
132275069
|
Synonym(s):
- chembl4127125
- bdbm50271273
- (2~{r},3~{r},4~{r},5~{r},6~{s})-5-acetamido-6-[(2~{s})-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
- (2r,3r,4r,5r,6s)-5-(acetylamino)-6-[(2s)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2h-pyran-2-carboxylic
- (2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
- 9sm
show 5 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL4127125 |
| Canonical SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@](F)(O[C@H]1C[C@H](O)CO)C(O)=O |
| Standard InChI: InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1 |
| Molecular Formula: C11H17F2NO7 |
Mol. Weight: 313.09732 |
logP: -1.9174 |
| HBD: 5 | HBA: 6 |
| #Rotatable Bonds: 5 | TPSA: 136.32 |