D-GLUCAMMONIUM, N-(3-ACETAMIDO-5-(METHYLCARBAMOYL)-2,4,6-TRIIODOBENZYL)-N-(2,3-DIHYDROXYPROPYL)-N-METHYL-, (3-ACETAMIDO-5-METHYLCARBAMOYL-2, 4,6-TRIIODO)-, BENZOATE

71746-20-8

MFCD01725458

C21 H33 I3 N3 O9 . C11 H8 I3 N2 O4

1465.1

InChI=1S/C21H32I3N3O9.C11H9I3N2O4/c1-9(30)26-18-16(23)11(15(22)14(17(18)24)21(36)25-2)5-27(3,4-10(31)7-28)6-12(32)19(34)20(35)13(33)8-29;1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h10,12-13,19-20,28-29,31-35H,4-8H2,1-3H3,(H-,25,26,30,36);1-2H3,(H,15,18)(H,16,17)(H,19,20)/t10?,12-,13+,19+,20+,27?;/m0./s1

InChIKey=YOEUMKLGCHZMPT-CKOJLFTCSA-N

CC(=O)Nc1c(c(c(c(c1I)C(=O)NC)I)C[N+](C)(CC(CO)O)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)I.CC(=O)Nc1c(c(c(c(c1I)C(=O)[O-])I)C(=O)NC)I

H bond donor:9

H bond acceptor:12

XLogP3:-3.0

Bulk/Fine:F