3-异噻唑羧酸,4-(羟甲基)-5-(3-碘苯基)-,乙基酯

193682-18-7

MFCD18252431

C43 H50 O7

678.861

InChI=1S/C43H50O7/c1-6-43(4,5)42(48)50-37-21-25(2)20-30-11-10-26(3)33(40(30)37)19-16-31(44)22-32(45)23-38(47)49-24-36(46)34-17-14-29-13-12-27-8-7-9-28-15-18-35(34)41(29)39(27)28/h7-15,17-18,20,25-26,31-33,37,40,44-45H,6,16,19,21-24H2,1-5H3/t25-,26-,31+,32+,33-,37-,40-/m0/s1

InChIKey=WAGCOTZTJMQDOW-TXXDJFRHSA-N

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OCC(=O)c3ccc4ccc5cccc6c5c4c3cc6)O)O)C

pro_donors:2

pro_acceptors:7

XLogP3:9.0

Bulk/Fine:F