S-ADENOSYLMETHIONINE DISULFATE DITOSYLATE

58994-55-1

MFCD01743290

C15 H22 N6 O5 S . 2 C7 H8 O3 S . 2 H2 O4 S

939.004

InChI=1S/C15H22N6O5S.2C7H8O3S.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;2*1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2*2-5H,1H3,(H,8,9,10);2*(H2,1,2,3,4)/t7-,8+,10+,11+,14+,27?;;;;/m0..../s1

InChIKey=USWRTUGBVMKBJA-INKMGEERSA-N

Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O.OS(=O)(=O)O.OS(=O)(=O)O

H bond donor:4

H bond acceptor:11

XLogP3:-2.0

Bulk/Fine:F