EMOXYL

84412-94-2

MFCD00890173

C36 H45 N4 O10 . Cl H

730.23

InChI=1S/C36H45N4O10.ClH/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44;/h8-10,16,21,23-24,29,41,43,45-46H,11-15,37H2,1-7H3;1H/b38-17+;/t16-,21-,23-,24-,29+,36-;/m0./s1

InChIKey=FQDZSGCGMPFCJA-XXKQIVDLSA-N

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(/C(=N/N=C6CC(N(C(C6)(C)C)[O])(C)C)/C)O)N)O.Cl

pro_donors:5

pro_acceptors:14

XLogP3:6.0

Bulk/Fine:F