泼那唑啉

6693-90-9

MFCD00867452

C21 H29 O8 P . C13 H18 N2 O

658.724

InChI=1S/C21H29O8P.C13H18N2O/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);3-6,10H,7-9H2,1-2H3,(H,14,15)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1

InChIKey=WBNNIURTBZHJTI-WDCKKOMHSA-N

CC(C)c1ccccc1OCC2=NCCN2.C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)CCC4=CC(=O)C=C[C@]34C)O

pro_donors:4

pro_acceptors:8

XLogP3:0.0

Bulk/Fine:F