CAS 73039-25-5|(9E)-N-[(4E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]octadec-9-enamide|N-Oleoylcerebroside semisynthetic from bovine brain cerebrosides|(9E)-N-...

基本信息

化学结构

分子式

C₄₂H₇₉NO₈

分子量

726.07856

精确质量

725.58056849

电荷

InChI

InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17+,31-29+

InChIKey

MVGFIPNJBNBHNC-LSUSWXEESA-N

Canonic Smiles

CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCCCC/C=C/CCCCCCCC)COC1OC(CO)C(C(C1O)O)O)O

Isomeric Smiles

CCCCCCCCCCCCC/C=C/C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCC/C=C/CCCCCCCC)O

计算属性

JChem

Acid pKa

12.1817665

质子受体

质子供体