C6-NBD LACTOSYL CERAMIDE

474943-04-9

MFCD03428077

C42 H69 N5 O16

900.026

InChI=1S/C42H69N5O16/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-29(50)27(44-32(51)19-16-14-17-22-43-26-20-21-28(47(57)58)34-33(26)45-63-46-34)25-59-41-39(56)37(54)40(31(24-49)61-41)62-42-38(55)36(53)35(52)30(23-48)60-42/h15,18,20-21,27,29-31,35-43,48-50,52-56H,2-14,16-17,19,22-25H2,1H3,(H,44,51)/b18-15+/t27-,29-,30+,31+,35-,36-,37+,38+,39+,40+,41+,42-/m0/s1

InChIKey=YITXFMQKMNZYOB-GCNQFRLVSA-N

CCCCCCCCCCCCC/C=C/[C@@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCNc3ccc(c4c3non4)[N+](=O)[O-])O

pro_donors:10

pro_acceptors:21

XLogP3:0.0

Bulk/Fine:F