FE(III) MESO-TETRA(4-CARBOXYPHENYL)PORPHINE CHLORIDE

55266-17-6

MFCD03425968

C48 H28 Cl Fe N4 O8

880.067

InChI=1S/C48H30N4O8.ClH.Fe/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58;;/h1-24H,(H6,49,50,51,52,53,54,55,56,57,58,59,60);1H;/q;;+3/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;

InChIKey=ZQEYRUSGNOIPSV-YKKPBKTHSA-K

c1cc(ccc1/c2/c3ccc/4n3[Fe](n\5/c(/cc/c5c(/c6n/c(c4/c7ccc(cc7)C(=O)O)/C=C6)\c8ccc(cc8)C(=O)O)c(\c9n\c2\C=C9)/c1ccc(cc1)C(=O)O)Cl)C(=O)O

氢键供体数量:4

氢键受体数量:12

XLogP3:0.0

Bulk/Fine:FB