1(2H)-吡啶羧酸,5-氰基-,乙基酯

52659-57-1

MFCD01664579

C32 H47 Br O10

671.617

InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26-,29+,31-,32-/m0/s1

InChIKey=RHJPBGWFGOAEID-BEDNPZBZSA-N

C[C@@H]1CC([C@@]23C[C@@H]([C@@H]([C@H](O2)[C@@H](C)CC[C@@H](c4cc(ccc4Br)O)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)[C@@H](C)O)(C)C

pro_donors:3

pro_acceptors:10

XLogP3:5.0

Bulk/Fine:F