1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHO-(1'-MYO-INOSITOL-3',4'-BISPHOSPHATE) AMMONIUM SALT

799268-54-5

MFCD22416810

C45 H85 O19 P3 . 3 H3 N

1074.16

InChI=1S/C45H85O19P3.3H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56;;;/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56);3*1H3/b19-17-,20-18-;;;/t37-,40+,41+,42-,43-,44-,45-;;;/m1.../s1

InChIKey=IXBWAIVJMKCCRS-ORKIBORBSA-N

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.N.N.N

H bond donor:8

H bond acceptor:19

XLogP3:9.0

Bulk/Fine:F