 |
| Ligand Name: diphenyl {[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl}phosphonate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1239 |
PubChem:
9543579
|
Synonym(s):
- diphenyl ((4s,5r,6s)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl) methanephosphonate
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC1(C)O[C@@H](CC)[C@@H](C)[C@H](O1)CP(=O)(Oc2ccccc2)Oc3ccccc3 |
| Standard InChI: InChI=1S/C22H29O5P/c1-5-20-17(2)21(25-22(3,4)24-20)16-28(23,26-18-12-8-6-9-13-18)27-19-14-10-7-11-15-19/h6-15,17,20-21H,5,16H2,1-4H3/t17-,20+,21-/m1/s1 |
| Molecular Formula: C22H29O5P |
Mol. Weight: 404.17526 |
logP: 5.9037 |
| HBD: 0 | HBA: 5 |
| #Rotatable Bonds: 7 | TPSA: 53.99 |