PERALLYLOXYCUCURBIT[6]URIL (AOCB[6]) POTASSIUM SULFATE

558445-90-2

MFCD19443485

C72 H84 N24 O24 . 2 K . O4 S

1843.86

InChI=1S/C72H84N24O24.2K.H2O4S/c1-13-25-109-61-62(110-26-14-2)75-39-79-53(101)83-43-87-57(105)91-47-95-59(107)93-45-89-55(103)85-41-81-51(99)77(37-73(61)49(75)97)63(111-27-15-3)64(81,112-28-16-4)82-42-86-56(104)90(68(89,116-32-20-8)67(85,86)115-31-19-7)46-94-60(108)96(72(95,120-36-24-12)71(93,94)119-35-23-11)48-92-58(106)88(69(87,117-33-21-9)70(91,92)118-34-22-10)44-84-54(102)80(40-76(62)50(98)74(61)38-78(63)52(82)100)65(79,113-29-17-5)66(83,84)114-30-18-6;;;1-5(2,3)4/h13-24H,1-12,25-48H2;;;(H2,1,2,3,4)/q;2*+1;/p-2

InChIKey=WJNMGKOZOVUPKK-UHFFFAOYSA-L

C=CCOC12C3(N4CN5C(=O)N6CN7C(=O)N8CN9C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N(CN1C4=O)C1(C%13(N4CN%13C%12(C%11(N(C%13=O)CN%11C%10(C9(N(C%11=O)CN9C8(C7(N(C9=O)CN7C6(C5(N(C7=O)CN3C(=O)N2CN1C4=O)OCC=C)OCC=C)OCC=C)OCC=C)OCC=C)OCC=C)OCC=C)OCC=C)OCC=C)OCC=C)OCC=C.[O-]S(=O)(=O)[O-].[K+].[K+]

H bond donor:0

H bond acceptor:48

XLogP3:0.0

Bulk/Fine:F