CAS 26658-19-5|sorbitan tristearate|Sorbitan trioctadecanoate|Anhydrosorbitan tristearate|E492|2-[(2R,3S,4R)-4-hydroxy-3-(octadecanoyloxy)oxolan-2-yl]-2-(octadecanoyloxy)ethyl octadecanoate|Sorbitan...

基本信息

化学结构

分子式

C₆₀H₁₁₄O₈

分子量

963.54236

精确质量

962.85137061

电荷

InChI

InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3/t54-,55?,59+,60-/m1/s1

InChIKey

IJCWFDPJFXGQBN-BIFNRIDTSA-N

Canonic Smiles

CCCCCCCCCCCCCCCCCC(=O)OCC([C@H]1OC[C@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric Smiles

CCCCCCCCCCCCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

计算属性

JChem

Acid pKa

13.31137

质子受体

质子供体