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| Ligand Name: Diphenyl (3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctylphosphonate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1490 |
PubChem:
9543581
|
Synonym(s):
- pentaketide
- chembl1221987
- (3r,4s,5s,7r)-1-diphenoxyphosphoryl-4,8-dihydroxy-3,5,7-trimethyloctan-2-one
- [(3r,4s,5s,7r)-2-oxo-3,5,7-trimethyl-4,8-dihydroxyoctyl]phosphonic acid diphenyl ester
show 3 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL1221987 |
| Canonical SMILES: OC[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)CP(=O)(Oc1ccccc1)Oc2ccccc2 |
| Standard InChI: InChI=1S/C23H31O6P/c1-17(15-24)14-18(2)23(26)19(3)22(25)16-30(27,28-20-10-6-4-7-11-20)29-21-12-8-5-9-13-21/h4-13,17-19,23-24,26H,14-16H2,1-3H3/t17-,18+,19+,23+/m1/s1 |
| Molecular Formula: C23H31O6P |
Mol. Weight: 434.18582 |
logP: 4.5582 |
| HBD: 2 | HBA: 6 |
| #Rotatable Bonds: 12 | TPSA: 93.06 |