 |
| Ligand Name:
2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium |
| HET ID: SBM |
PubChem:
145997910
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCC)CO[P@@](=O)(OCC[N+](C)(C)C)O |
| Standard InChI: InChI=1S/C30H60NO8P/c1-6-8-10-12-14-15-17-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31(3,4)5)39-30(33)23-21-19-16-13-11-9-7-2/h28H,6-27H2,1-5H3/p+1/t28-/m0/s1 |
| Molecular Formula: C30H61NO8P+ |
Mol. Weight: 594.781 |
Heavy Atoms: 40 |
| Charge: 1 |
Is Chiral: True |
logP: 7.3428 |
| HBD: 1 |
HBA: 8 |
TPSA: 118.17 |
| #Bonds: 40 |
#Rotatable Bonds: 30 |
Shape Complexity: 0.93333334 |
| Stereocomplexity: 0.06666667 |
Ligand Type: Small Molecule |