CAS 108321-22-8|[(2R)-2,3-bis(hexadecanoyloxy)propoxy](2-hexadecanamidoethoxy)phosphinic acid amine|L-α-Phosphatidylethanolamine, dipalmitoyl, N-palmitoyl ammonium salt|1,2-Dipalmitoyl-sn-glycero-3...

基本信息

化学结构

分子式

C₅₃H₁₀₇N₂O₉P

分子量

947.398441

精确质量

946.77141964

电荷

InChI

InChI=1S/C53H104NO9P.H3N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(55)54-46-47-61-64(58,59)62-49-50(63-53(57)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-60-52(56)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;/h50H,4-49H2,1-3H3,(H,54,55)(H,58,59);1H3/t50-;/m1./s1

InChIKey

CREASFJXMVEMCZ-VDKVIGKMSA-N

Canonic Smiles

CCCCCCCCCCCCCCCC(=O)O[C@@H](COP(=O)(OCCNC(=O)CCCCCCCCCCCCCCC)O)COC(=O)CCCCCCCCCCCCCCC.N

Isomeric Smiles

CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.N

计算属性

JChem

Acid pKa

1.90633

质子受体

质子供体