 |
| Ligand Name:
(4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE |
| HET ID: 6PL |
PubChem:
449006
|
| DrugBank: - |
ChEMBL: CHEMBL1230515 |
| Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[P@](=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCCCCCCCC |
| Standard InChI: InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m1/s1 |
| Molecular Formula: C42H85NO8P+ |
Mol. Weight: 763.1 |
Heavy Atoms: 52 |
| Charge: 1 |
Is Chiral: True |
logP: 12.024 |
| HBD: 1 |
HBA: 8 |
TPSA: 118.17 |
| #Bonds: 52 |
#Rotatable Bonds: 42 |
Shape Complexity: 0.95238096 |
| Stereocomplexity: 0.04761905 |
Ligand Type: Small Molecule |