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| Ligand Name: diphenyl [(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphonate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1237 |
PubChem:
9543571
|
Synonym(s):
- diphenyl (2r,3s)-3-hydroxy-2-methyl-1-oxopentyl methanephosphonate
- chembl1221988
- [(3r,4s)-2-oxo-3-methyl-4-hydroxyhexyl]phosphonic acid diphenyl ester
show 2 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL1221988 |
| Canonical SMILES: c1ccccc1OP(=O)(CC(=O)[C@H](C)[C@@H](O)CC)Oc2ccccc2 |
| Standard InChI: InChI=1S/C19H23O5P/c1-3-18(20)15(2)19(21)14-25(22,23-16-10-6-4-7-11-16)24-17-12-8-5-9-13-17/h4-13,15,18,20H,3,14H2,1-2H3/t15-,18+/m1/s1 |
| Molecular Formula: C19H23O5P |
Mol. Weight: 362.1283 |
logP: 4.3136 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 9 | TPSA: 72.83 |