1-ADAMANTYLPHOSPHONYLDIBENZO-17-CROWN-6 CALCIUM COMPLEX

136370-89-3

MFCD01745323

2 C28 H35 O7 P . Ca . 2 Cl O4

1268.08

InChI=1S/2C28H35O7P.Ca.2ClHO4/c2*29-36(28-18-21-15-22(19-28)17-23(16-21)20-28)34-26-7-3-1-5-24(26)32-13-11-30-9-10-31-12-14-33-25-6-2-4-8-27(25)35-36;;2*2-1(3,4)5/h2*1-8,21-23H,9-20H2;;2*(H,2,3,4,5)/q;;+2;;/p-2/t2*21-,22+,23-,28-;;;

InChIKey=POCOMVRNFIJZMD-CTPLCDNSSA-L

c1ccc2c(c1)OCCOCCOCCOc3ccccc3OP(=O)(O2)[C@@]45C[C@H]6C[C@@H](C4)C[C@H](C6)C5.c1ccc2c(c1)OCCOCCOCCOc3ccccc3OP(=O)(O2)[C@@]45C[C@H]6C[C@@H](C4)C[C@H](C6)C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2]

pro_donors:0

pro_acceptors:7

XLogP3:5.0

Bulk/Fine:F