 |
| Ligand Name:
(4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium |
| HET ID: 6O8 |
PubChem:
119057466
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCCCC(=O)O[C@H](CO[P@@](=O)(OCC[N+](C)(C)C)O)COC(=O)CCCC |
| Standard InChI: InChI=1S/C19H38NO8P/c1-6-8-10-12-19(22)28-17(15-25-18(21)11-9-7-2)16-27-29(23,24)26-14-13-20(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1 |
| Molecular Formula: C19H39NO8P+ |
Mol. Weight: 440.48862 |
Heavy Atoms: 29 |
| Charge: 1 |
Is Chiral: True |
logP: 3.0517 |
| HBD: 1 |
HBA: 8 |
TPSA: 118.17 |
| #Bonds: 29 |
#Rotatable Bonds: 19 |
Shape Complexity: 0.8947368 |
| Stereocomplexity: 0.10526316 |
Ligand Type: Small Molecule |