PENTAETHYLENEHEXAMINE-OCTAKIS(METHYLPHOSPHONIC ACID) HEXADECASODIUM SALT

93892-84-3

MFCD16661188

C18H36N6Na16O24P8

1336.13

InChI=1S/C18H52N6O24P8.16Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;;/q;16*+1/p-16

InChIKey=IYYWYYBOYJZYOP-UHFFFAOYSA-A

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)CN(CCN(CCN(CCN(CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CCN(CCN(CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O

H bond donor:0

H bond acceptor:30

XLogP3:-13.7162

Bulk/Fine:F