 |
| Ligand Name:
(4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide |
| HET ID: XP5 |
PubChem:
193376
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCC(=O)O[C@@H](CO[P@@](=O)(OCC[N+](C)(C)C)O)COC(=O)CCC |
| Standard InChI: InChI=1S/C16H32NO8P/c1-6-8-15(18)22-12-14(25-16(19)9-7-2)13-24-26(20,21)23-11-10-17(3,4)5/h14H,6-13H2,1-5H3/p+1/t14-/m1/s1 |
| Molecular Formula: C16H33NO8P+ |
Mol. Weight: 398.40887 |
Heavy Atoms: 26 |
| Charge: 1 |
Is Chiral: True |
logP: 1.8814 |
| HBD: 1 |
HBA: 8 |
TPSA: 118.17 |
| #Bonds: 26 |
#Rotatable Bonds: 16 |
Shape Complexity: 0.875 |
| Stereocomplexity: 0.125 |
Ligand Type: Small Molecule |