CAS 103625-33-8|(2-{[(2R)-3-(hexadecanoyloxy)-2-{[6-(pyren-1-yl)hexanoyl]oxy}propyl phosphonato]oxy}ethyl)trimethylazanium|(2-{[(2R)-3-(hexadecanoyloxy)-2-{[6-(pyren-1-yl)hexanoyl]oxy}propyl phospho...

基本信息

化学结构

分子式

C₄₆H₆₈NO₈P

分子量

794.007781

精确质量

793.46825477

电荷

InChI

InChI=1S/C46H68NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-25-43(48)52-35-41(36-54-56(50,51)53-34-33-47(2,3)4)55-44(49)26-20-17-18-22-37-27-28-40-30-29-38-23-21-24-39-31-32-42(37)46(40)45(38)39/h21,23-24,27-32,41H,5-20,22,25-26,33-36H2,1-4H3/t41-/m1/s1

InChIKey

YUSSRHTYLXAJFX-VQJSHJPSSA-N

Canonic Smiles

CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCc1ccc2c3c1ccc1c3c(cc2)ccc1)COP(=O)(OCC[N+](C)(C)C)[O-]

Isomeric Smiles

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCc1ccc2ccc3cccc4ccc1c2c34

计算属性

JChem

Acid pKa

1.8550572

质子受体

质子供体