1-STEAROYL-2-ARACHIDONOYL-SN-GLYCERO-3-PHOSPHO-(1'-MYO-INOSITOL-4',5'-BISPHOSPHATE) AMMONIUM SALT

799268-59-0

MFCD22416815

C47 H85 O19 P3 . 3 H3 N

1098.18

InChI=1S/C47H85O19P3.3H3N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58;;;/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58);3*1H3/b13-11-,19-17-,24-22-,30-28-;;;/t39-,42+,43-,44-,45+,46+,47+;;;/m1.../s1

InChIKey=GAIOWTITBYPFJE-YBBLWDPDSA-N

CCCCCCCCCCCCCCCCCC(=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)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.N.N.N

pro_donors:8

pro_acceptors:19

XLogP3:9.0

Bulk/Fine:F