CAS 17283-91-9|(15E)-N-[(4E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]tetracos-15-enamide|N-Nervonoyl cerebroside semisynthetic from bovine brain cerebrosides|...

基本信息

化学结构

分子式

C₄₈H₉₁NO₈

分子量

810.23804

精确质量

809.67446888

电荷

InChI

InChI=1S/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17+,37-35+

InChIKey

WBOZIXHPUPAOIA-YOPMPTLHSA-N

Canonic Smiles

CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCCCCCCCCCC/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)CCCCCCCCCCCCC/C=C/CCCCCCCC)O

计算属性

JChem

Acid pKa

12.181224

质子受体

质子供体